SCHEMBL188509

SCHEMBL188509

COc1ccccc1C[C]=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
IDO1 P14902 2/20 0.52
CHRM2 P08172 3/20 0.50
CHRM1 P11229 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CA7 P43166 2/20 0.48
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 1/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 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
SCHEMBL7038288 0.82 CA12 (0.49) L3MBTL1ALDH1A1GAAMAPTCA1
SCHEMBL11042851 0.81 TAAR1 (0.55) TAAR1IDO1CHRM2CHRM1CA1
SCHEMBL834561 0.80 TAAR1 (0.58) TAAR1IDO1CHRM2CHRM1L3MBTL1
SCHEMBL910695 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1GAAMAPTKDM4E
SCHEMBL198463 0.79 IDO1 (0.52) TAAR1IDO1CHRM2CHRM1L3MBTL1
SCHEMBL5789939 0.79 IDO1 (0.52) TAAR1IDO1CHRM2CHRM1HTT
SCHEMBL17939 0.78 IDO1 (0.59) TAAR1IDO1CHRM2CHRM1L3MBTL1
SCHEMBL7121792 0.77 PTGS2 (0.49) ALDH1A1MAPTHPGDKDM4E
SCHEMBL20560055 0.77 HDAC3 (0.43) IDO1HTTALDH1A1GAAMAPT
SCHEMBL910377 0.77 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259633-A1 PROCESSES FOR THE PREPARATION OF ZANUBRUTINIB AND INTERMEDIATES THEREOF Teva Pharmaceuticals International GmbH (CH) 2023-10-18 EP claimed
EP-4139305-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF iOmx Therapeutics AG (DE) 2023-03-01 EP claimed
WO-2022125862-A1 PROCESSES FOR THE PREPARATION OF ZANUBRUTINIB AND INTERMEDIATES THEREOF TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2022-06-16 WO claimed
WO-2021214117-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-10-28 WO claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
WO-2016112243-A1 UREA DERIVATIVES OF AMPHOTERICIN B DERIVED FROM SECONDARY AMINES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-14 WO claimed
US-20130072456-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-21 US claimed
EP-2519101-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME Kempharm, Inc. (US) 2012-11-07 EP claimed
WO-2011082076-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2011-07-07 WO claimed
US-20040053854-A1 Process for preparation of 4,5-Epoxymorphinan-6-oxyglucuronides CENES LIMITED (GB) 2004-03-18 US claimed
EP-1077985-A1 PROCESS FOR PREPARATION OF 4,5-EPOXYMORPHINAN-6-OXYGLUCURONIDES CeNes Limited (GB) 2001-02-28 EP claimed
WO-1999058545-A1 PROCESS FOR PREPARATION OF 4,5-EPOXYMORPHINAN-6-OXYGLUCURONIDES CENES LIMITED (GB) 1999-11-18 WO claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
US-4742061-A Benzoc[c]-1,5-naphthyridines and related compounds as memory enhancing agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-05-03 US claimed
US-4103086-A 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives SMITHKLINE CORPORATION (US) 1978-07-25 US 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-20130072456-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS CYP11B2, CYP11B1, SDHA TAAR1 700/4885IDO1 2044/4885CHRM2 671/4885
US-20040053854-A1 Process for preparation of 4,5-Epoxymorphinan-6-oxyglucuronides OGFR, OSTC, GALE TAAR1 4249/4885IDO1 1687/4885CHRM2 1312/4885

“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.