Isopropylbenzene

Isopropylbenzene

SCHEMBL120302

CC(C)c1ccccc1.Cl

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Isopropylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.46
ADRA2C known ✓ P18825 1/20 0.46
DPP4 known ✓ P27487 2/20 0.45
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 4/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HBB P68871 1/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
F2 P00734 1/20 0.45
TSHR P16473 1/20 0.45
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isopropylbenzene SCHEMBL27606611 1.00 ALDH1A1 (0.50) ALDH1A1TAAR1MEN1KMT2AHBB
Isopropylbenzene SCHEMBL28691093 0.97 ALDH1A1 (0.48) ALDH1A1TAAR1MEN1KMT2AHBB
Isopropylbenzene SCHEMBL29006727 0.97 ALDH1A1 (0.48) ALDH1A1TAAR1MEN1KMT2AHBB
Isopropylbenzene SCHEMBL4005539 0.97 ALDH1A1 (0.48) ALDH1A1TAAR1MEN1KMT2AHBB
Isopropylbenzene SCHEMBL3996539 0.97 ALDH1A1 (0.48) ALDH1A1TAAR1MEN1KMT2AHBB
Isopropylbenzene SCHEMBL23501477 0.97 ALDH1A1 (0.54) ALDH1A1TAAR1MEN1KMT2AHBB
Isopropylbenzene SCHEMBL8431863 0.97 TAAR1 (0.50) ALDH1A1TAAR1ADRA2AADRA2CCYP2D6
Isopropylbenzene SCHEMBL6568 0.97
Isopropylbenzene SCHEMBL87809 0.97 TAAR1 (0.50) ALDH1A1TAAR1ADRA2AADRA2CCYP2D6
Isopropylbenzene SCHEMBL11254813 0.97

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1615 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540295-B2 Aqueous alkaline abrasive cleaning composition CONOPCO INC. (US) 2026-02-03 US claimed
EP-4479508-B1 A FOAMING ACIDIC HARD SURFACE CLEANING COMPOSITION UNILEVER IP HOLDINGS B V (NL) 2025-11-05 EP claimed
EP-4638676-A1 A FOAMABLE HARD SURFACE CLEANING COMPOSITION Unilever IP Holdings B.V. (NL) 2025-10-29 EP claimed
EP-4496874-A1 A SOLID HARD SURFACE CLEANING COMPOSITION Unilever IP Holdings B.V. (NL) 2025-01-29 EP claimed
EP-4479508-A1 A FOAMING ACIDIC HARD SURFACE CLEANING COMPOSITION Unilever IP Holdings B.V. (NL) 2024-12-25 EP claimed
WO-2024133116-A1 A FOAMABLE HARD SURFACE CLEANING COMPOSITION UNILEVER IP HOLDINGS B.V. (NL) 2024-06-27 WO claimed
US-12016334-B2 Composition comprising sulphated galactose, and implementations thereof SEA6ENERGY PVT. LTD. (IN) 2024-06-25 US claimed
EP-4244319-B1 AQUEOUS ALKALINE ABRASIVE CLEANING COMPOSITION UNILEVER IP HOLDINGS B V (NL) 2024-06-19 EP claimed
WO-2024102612-A1 COMPOUNDS AND METHODS FOR IDENTIFYING COMPOUNDS FOR MODULATING GLUCOSE TRANSPORT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-16 WO claimed
EP-4240820-B1 LIQUID AQUEOUS CLEANING COMPOSITION UNILEVER IP HOLDINGS B V (NL) 2024-05-08 EP claimed
WO-2001021171-A1 SYSTEMS FOR AGITATED DELIVERY OF ANTI-INFECTIVE COMPOSITIONS TO TREAT DISORDERED TISSUE SUCH AS COLD SORES JOHNSON B RON (US) 2001-03-29 WO claimed
WO-2001020981-A2 ANTI-INFECTIVE COMPOSITIONS FOR TREATING DISORDERED TISSUE SUCH AS COLD SORES JOHNSON B RON (US) 2001-03-29 WO claimed
WO-2001021170-A1 SYSTEMS FOR DELIVERING ANTI-INFECTIVE COMPOSITIONS FROM FRANGIBLE AMPULES TO TREAT DISORDERED TISSUE SUCH AS COLD SORES JOHNSON B RON (US) 2001-03-29 WO claimed
US-6207192-B1 Prolongation of chemical activity of flavorants and therapeutics with cetyl pyridinium chloride SDG, INC. 2001-03-27 US claimed
US-5997893-A ALCOHOL, AN EFFECTIVE AMOUNT OF A CATIONIC ANTIMICROBIAL COMPOUND, AND A CARBOMER ETHICON, INC. (US) 1999-12-07 US claimed
CN-1228254-A Alcohol based anti-microbial compositions with cosmetic apparatus ETHICON INC (US) 1999-09-15 CN claimed
EP-0930065-A2 Alcohol based anti-microbial compositions with cosmetic appearance ETHICON, INC. (US) 1999-07-21 EP claimed
CN-1222849-A Composition, barrier film and method for preventing contact dermatitis HYDROMER INC (US) 1999-07-14 CN claimed
WO-1998033478-A2 RNA- AND DNA-BASED ACTIVE AGENTS IN NANOPARTICLES ZW BIOMEDICAL RESEARCH AG (CH) 1998-08-06 WO claimed
CN-1126071-A Viracidal, bactericidal and spermicidal vaginal suppository LAFOR LAB LTD (US) 1996-07-10 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12016334-B2 Composition comprising sulphated galactose, and implementations thereof FUT5, FUT6, ST6GAL1 ADRA2A 4474/4885ADRA2C 3519/4885DPP4 674/4885
US-12540295-B2 Aqueous alkaline abrasive cleaning composition AP3S1, AP2S1, AP3D1 ADRA2A 4138/4885ADRA2C 2934/4885DPP4 1655/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.