SCHEMBL3786702

SCHEMBL3786702

CCc1cc(C)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.36
NR3C2 P08235 2/20 0.36
PGR P06401 1/20 0.36
IDO1 P14902 2/20 0.34
RAPGEF4 Q8WZA2 3/20 0.34
PTGS2 P35354 2/20 0.33
TSHR P16473 1/20 0.33
NR1D1 P20393 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
TP53 P04637 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL172803 0.84 TSHR (0.50) IDO1PTGS2TSHRALDH1A1GAA
SCHEMBL3790308 0.84 TSHR (0.41) IDO1PTGS2TSHRALDH1A1GAA
SCHEMBL16956780 0.81 FFAR4 (0.39) NR3C1NR3C2PGRIDO1RAPGEF4
SCHEMBL271754 0.81 ALDH1A1 (0.42) NR3C1NR3C2PGRRAPGEF4PTGS2
SCHEMBL5490825 0.81 PGK1 (0.44) RAPGEF4PTGS2TSHRALDH1A1GAA
SCHEMBL168174 0.81 PGK1 (0.44) RAPGEF4PTGS2TSHRALDH1A1GAA
SCHEMBL14114133 0.80 IDO1 (0.34) NR3C1NR3C2PGRIDO1RAPGEF4
Ammonia Solution, Strong SCHEMBL5606944 0.78 PGK1 (0.42) RAPGEF4PTGS2TSHRALDH1A1GAA
SCHEMBL14464883 0.78 PNMT (0.46) IDO1RAPGEF4NR1D1
SCHEMBL15712079 0.78 RAPGEF4 (0.33) NR3C1NR3C2PGRIDO1RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453792-B1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2007-04-18 EP claimed
EP-1453792-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
US-20040039064-A1 Amine 1,2- and 1,3-diol compounds PHARMACIA & UPJOHN COMPANY LLC 2004-02-26 US claimed
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines ELAN PHARMACEUTICALS, INC. 2004-02-19 US claimed
WO-2003043975-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
EP-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 EP disclosed
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-20220251117-A1 PROTEASOME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2022-08-11 US disclosed
US-11028068-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-06-08 US disclosed
US-20200207737-A1 SOMATASTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-02 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 US disclosed
EP-1453792-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
US-20040039064-A1 Amine 1,2- and 1,3-diol compounds PHARMACIA & UPJOHN COMPANY LLC 2004-02-26 US disclosed
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines ELAN PHARMACEUTICALS, INC. 2004-02-19 US disclosed
WO-2003043975-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
US-4538003-A TREATMENT WITH MAGNESIUM OR ZINC ORGANOMETALLIC REAGENTS IN PRESENE OF A NICKEL BIDENTATE OR TRIDENTATE PHOSPHOROUS LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-27 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 (7 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-20040039064-A1 Amine 1,2- and 1,3-diol compounds BACE1, BACE2, APP NR3C1 869/4885NR3C2 1258/4885PGR 1966/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP NR3C1 4282/4885NR3C2 4498/4885PGR 3824/4885
US-20200207737-A1 SOMATASTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 NR3C1 1659/4885NR3C2 392/4885PGR 2948/4885
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines BACE1, APP, BACE2 NR3C1 4198/4885NR3C2 4060/4885PGR 3995/4885
US-20220251117-A1 PROTEASOME INHIBITORS PSMB5, PSMG3, PSMB1 NR3C1 2126/4885NR3C2 2705/4885PGR 2046/4885
US-11028068-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 NR3C1 327/4885NR3C2 184/4885PGR 582/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 NR3C1 883/4885NR3C2 996/4885PGR 4205/4885

“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.