Isopropylbenzene

Isopropylbenzene

SCHEMBL4087648

CC(C)c1ccccc1.CO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ADRA2A P08913 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 3/20 0.46
CHRM2 P08172 1/20 0.46
ADRA1A P35348 1/20 0.46
RGS12 O14924 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
CYP2C19 P33261 1/20 0.46

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 SCHEMBL7601546 1.00 ADRA2C (0.50) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL30804544 0.97 ADRA2C (0.52) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL16627 0.97 ADRA2C (0.52) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL4795494 0.97 ADRA2C (0.52) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL18614726 0.97 ADRA2C (0.52) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL23421101 0.97 ADRA2C (0.52) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL6320513 0.97 ADRA2C (0.52) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL11051581 0.94 ADRA2C (0.50) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL28421110 0.94 ADRA2C (0.50) ADRA2CKDM4ELMNAADRA2AHIF1A
Isopropylbenzene SCHEMBL23501477 0.94 ALDH1A1 (0.54) ADRA2CKDM4ELMNAADRA2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431425-B Compound, material for organic electroluminescent element, ink composition, organic electroluminescent element, and electronic device 出光兴产株式会社 2019-10-01 CN claimed
US-20080021098-A1 Antifungal Compositions GIVAUDAN SA (CH) 2008-01-24 US claimed
WO-2005079573-A1 ANTIFUNGAL COMPOSITIONS GIVAUDAN SA (CH) 2005-09-01 WO claimed
CN-1214048-C Method for preparing catalyst for olefin polymerization SAMSUNG ATOFINA CO LTD (KR) 2005-08-10 CN claimed
CN-1606408-A Ambient stable beverage UNILEVER NV (NL) 2005-04-13 CN claimed
CN-1150222-C Process for preparing polyolefin polymerization catalysts LG��ѧ��ʽ���� 2004-05-19 CN claimed
CN-1483045-A Process for preparing catalyst for olefin polymerization ���ǰ��з�����ʽ���� 2004-03-17 CN claimed
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US claimed
CN-1315968-A Process for preparing olefin polymerization catalyst LG CHEMICAL LTD (KR) 2001-10-03 CN claimed
US-6262287-B1 POLYSILOXANE OLIGOMERS GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 2001-07-17 US claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 EP claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP claimed
EP-3816268-A1 ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
EP-3816149-A1 ISOBUTYRIC ESTER COMPOUND HAVING BUTYRYLOXY GROUP OR PIVALOYLOXY GROUP AT ? POSITION, AND PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
CN-110302727-B Millimeter-sized microcapsule and preparation method thereof 江南大学 2020-11-06 CN disclosed
CN-106103428-B Composition, compound, material for organic electroluminescent element, ink composition, organic electroluminescent element, and electronic device 出光兴产株式会社 2019-10-08 CN disclosed
CN-1028027-C Ethylene/pentene-1 copolymer, process for preparation of same, and ethylene/pentene-1 copolymer composition MITSUI PETROCHEMICAL IND (JP) 1995-03-29 CN disclosed
CN-1021229-C CATALYST FOR OLEFINIC POLYMERIZATION AND PROCESS FOR OLEFINIC POLYMERIZATION MITSUI PETROCHEMICAL IND (JP) 1993-06-16 CN disclosed
CN-1055368-A Ethylene/pentene-1 copolymer and preparation method thereof, and ethylene/pentene-1 copolymer composition MITSUI PETROCHEMICAL IND (JP) 1991-10-16 CN disclosed
CN-1042156-A The polymerization process of catalyst for olefines polymerizing composition and preparation method thereof, catalyst for olefines polymerizing and alkene MITSUI PETROCHEMICAL IND (JP) 1990-05-16 CN disclosed

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

For each of this compound's patents that has machine-readable text (1 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-20080021098-A1 Antifungal Compositions ERG28, DPM1, SORD ADRA2C 3124/4885KDM4E 3655/4885LMNA 418/4885

“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.