SCHEMBL117186

SCHEMBL117186

Cn1c(C(=O)O)cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 1.00
DAO P14920 1/20 0.65
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
SLC9A1 P19634 1/20 0.61
TSHR P16473 1/20 0.61
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
GPR35 Q9HC97 1/20 0.58
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
SRD5A2 P31213 1/20 0.56
PHGDH O43175 1/20 0.56
CCR2 P41597 1/20 0.56

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
Hydrochloric Acid SCHEMBL8600262 0.98 MCL1 (0.96) MCL1DAOALDH1A1KDM4EHPGD
Guanidine SCHEMBL8688091 0.90 MCL1 (0.81) MCL1DAOALDH1A1KDM4EHPGD
SCHEMBL3486848 0.89 MCL1 (0.79) MCL1DAOALDH1A1KDM4EHPGD
SCHEMBL16599480 0.86 MCL1 (0.76) MCL1DAOSLC9A1MAPTMEN1
SCHEMBL27467673 0.85 MCL1 (0.74) MCL1DAOALDH1A1SLC9A1TSHR
SCHEMBL401039 0.85 MCL1 (0.73) MCL1DAOSLC9A1MAPTMEN1
SCHEMBL2730209 0.84 MAPT (0.77) MCL1DAOALDH1A1SLC9A1MAPT
SCHEMBL5748064 0.83 MCL1 (0.71) MCL1DAOSLC9A1MAPTMEN1
SCHEMBL2323444 0.83 MCL1 (0.71) MCL1DAOSLC9A1MAPTMEN1
SCHEMBL2322980 0.83 MCL1 (0.71) MCL1DAOSLC9A1MAPTMEN1

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 1102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
CN-118772123-A Piperazine-1-methylindole-2-carboxamide derivative, and preparation method and application thereof 河南省锐达医药科技有限公司 2024-10-15 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-116535280-A Synthesis method of alkynyl thioether compound 江南大学 2023-08-04 CN claimed
CN-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 CN claimed
CN-114702504-B Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs 平顶山学院 2023-04-07 CN claimed
CN-114702504-A Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs 平顶山学院 2022-07-05 CN claimed
US-20220096454-A1 CARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-03-31 US claimed
CN-112979672-B 11, 20-dicarbonyl oridonin 14-O esterified series derivatives and application thereof 郑州大学 2022-03-11 CN claimed
WO-1999005319-A2 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE, INC. (US) 1999-02-04 WO claimed
US-5840485-A SYNTHETIC TEST COMPOUNDS ATTACHED TO SEPARATE PHASE SYNTHESIS SUPPORTS THAT ALSO CONTAIN CODING MOLECULES THAT ENCODE THE STRUCTURE OF THE SYNTHETIC TEST COMPOUND SELECTIDE CORPORATION (US) 1998-11-24 US claimed
EP-0868535-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES Rapigene, Inc. (US) 1998-10-07 EP claimed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
EP-0705279-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1996-04-10 EP claimed
WO-1995011895-A1 N-BENZOYL-4-OXY/THIO-2-SUBSTITUTED PIPERIDINES AS SUBSTANCE-P RECEPTOR ANTAGONISTS CIBA-GEIGY AG (CH) 1995-05-04 WO claimed
WO-1994028028-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1994-12-08 WO 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 (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-20220096454-A1 CARBOXYLIC ACID DERIVATIVES IRAK1, TANK, TRAF6 MCL1 438/4885DAO 914/4885ALDH1A1 302/4885

“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.