Tretoquinol

Tretoquinol

SCHEMBL1630263

COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC.Cl

nearest known ligand 0.97

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 Tretoquinol. 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
ADRB2 known ✓ P07550 5/20 0.97
ADRB1 known ✓ P08588 4/20 0.97
ADRB3 known ✓ P13945 3/20 0.97
HTR1A known ✓ P08908 1/20 0.97
ADRA2A known ✓ P08913 1/20 0.97
DRD1 known ✓ P21728 1/20 0.97
PTGS1 known ✓ P23219 1/20 0.97
OPRM1 known ✓ P35372 1/20 0.97
DRD3 known ✓ P35462 1/20 0.97
ABL1 known ✓ P00519 1/20 0.64
GAA known ✓ P10253 1/20 0.64
TBXA2R P21731 6/20 0.97
DHFR P00374 1/20 0.97
KDM4E B2RXH2 1/20 0.65
MAPT P10636 1/20 0.65
PKM P14618 1/20 0.65
MEN1 O00255 1/20 0.64
ALPL P05186 1/20 0.64
KMT2A Q03164 1/20 0.64
RIN1 Q13671 1/20 0.64

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
Tretoquinol SCHEMBL30537714 1.00 TBXA2R (0.97) TBXA2RADRB2ADRB1ADRB3HTR1A
Tretoquinol SCHEMBL29966739 1.00 TBXA2R (0.97) TBXA2RADRB2ADRB1ADRB3HTR1A
Tretoquinol SCHEMBL11040376 0.99 TBXA2R (0.95) TBXA2RADRB2ADRB1ADRB3HTR1A
Tretoquinol SCHEMBL249003 0.99 TBXA2R (1.00) TBXA2RADRB2ADRB1ADRB3HTR1A
Tretoquinol SCHEMBL249002 0.99 TBXA2R (1.00) TBXA2RADRB2ADRB1ADRB3HTR1A
Tretoquinol SCHEMBL29383882 0.99 TBXA2R (1.00) TBXA2RADRB2ADRB1ADRB3HTR1A
Tretoquinol SCHEMBL9053034 0.97 TBXA2R (0.97) TBXA2RADRB2ADRB1ADRB3HTR1A
Tretoquinol SCHEMBL1604695 0.97 TBXA2R (0.97) TBXA2RADRB2ADRB1ADRB3HTR1A
SCHEMBL12635396 0.88 ADRB2 (0.80) TBXA2RADRB2ADRB1ADRB3HTR1A
SCHEMBL17713983 0.88 ADRB2 (0.80) TBXA2RADRB2ADRB1ADRB3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563381-A Adhesive forming compositions and adhesive blends obtained therefrom MOMENTIVE PERFORMANCE MAT INC (US) 2009-10-21 CN claimed
EP-0580860-B2 METHOD OF MANUFACTURING SOLID DISPERSION NIPPON SHINYAKU CO LTD (JP) 2004-12-15 EP claimed
EP-0580860-B1 METHOD OF MANUFACTURING SOLID DISPERSION NIPPON SHINYAKU CO LTD (JP) 1997-10-22 EP claimed
US-12304913-B2 Dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2025-05-20 US disclosed
US-20240016745-A1 TIMED-ELUTION MASKING PARTICLES AND ORAL PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TOWA PHARMACEUTICAL CO., LTD. (JP) 2024-01-18 US disclosed
EP-3885347-B1 DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE CORP (JP) 2023-11-22 EP disclosed
WO-2023190826-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR SUPPRESSING OR TREATING SYMPTOMS ACCOMPANYING PSEUDO-ALLERGIC REACTIONS 学校法人 高崎健康福祉大学 2023-10-05 WO disclosed
WO-2022124243-A1 TIMED-ELUTION MASKING PARTICLES AND ORAL PHARMACEUTICAL COMPOSITION CONTAINING SAME 東和薬品株式会社 2022-06-16 WO disclosed
US-20220002303-A1 DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE CORPORATION (JP) 2022-01-06 US disclosed
EP-3885347-A1 DIHYDROPYRROLOPYRAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2021-09-29 EP disclosed
US-10799593-B2 Nanodiamond particle complexes NORTHWESTERN UNIVERSITY (US) 2020-10-13 US disclosed
US-4443497-A DISSOLVING, COATING, SOLVENTS, POLYMER, ETHYL CELLULOSE, ANTICOAGULANTS, DRUGS TANABE SEIYAKU CO., LTD. (JP) 1984-04-17 US disclosed
EP-0099109-A1 Process for preparing free-flowing ethylcellulose microcapsules Tanabe Seiyaku Co., Ltd. (JP) 1984-01-25 EP disclosed
US-4411933-A CYCLOHEXANE, ORGANOSILICON POLYMER, DISPERSION, CORES TANABE SEIYAKU CO., LTD. (JP) 1983-10-25 US disclosed
US-4389331-A Process for preparing pharmaceutically active compound-containing microcapsules TANABE SEIYAKU CO., LTD. (JP) 1983-06-21 US disclosed
EP-0077956-A1 Enteric microcapsules and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1983-05-04 EP disclosed
EP-0038979-A1 Process for preparing ethylcellulose microcapsules Tanabe Seiyaku Co., Ltd. (JP) 1981-11-04 EP disclosed
US-4218333-A ETHYL CELLULOSE WALL-FORMING AGENT AND POLYISOBUTYLENE AS PHASE SEPARATION AGENT TANABE SEIYAKU CO., LTD. (JP) 1980-08-19 US disclosed
US-4016100-A PHOSPHOLIPID DISPERSION, FREEZING, THAWING TANABE SEIYAKU CO., LTD. (JA) 1977-04-05 US disclosed
US-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 US 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 (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-20220002303-A1 DIHYDROPYRROLOPYRAZOLE DERIVATIVE CBR3, SLC13A3, CYP3A5 ADRB2 62/4885ADRB1 140/4885ADRB3 12/4885
US-12304913-B2 Dihydropyrrolopyrazole derivative CBR3, SLC13A3, CYP3A5 ADRB2 62/4885ADRB1 140/4885ADRB3 12/4885

“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.