SCHEMBL778759

SCHEMBL778759

CCC(C)c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CYP3A4 P08684 2/20 0.41
MC4R P32245 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL21138699 1.00 TSHR (0.59) TSHRCYP3A4MC4RGABRA1GABRB2
SCHEMBL20807370 1.00 TSHR (0.59) TSHRCYP3A4MC4RGABRA1GABRB2
SCHEMBL11996559 0.84 TSHR (0.52) TSHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL994607 0.83 TSHR (0.73) TSHRGABRA1GABRB2L3MBTL1KDM4E
SCHEMBL18533077 0.83 TSHR (0.50) TSHRCYP3A4GABRA1L3MBTL1KDM4E
SCHEMBL21259631 0.83 TSHR (0.50) TSHRCYP3A4GABRA1L3MBTL1KDM4E
SCHEMBL780254 0.83 TSHR (0.41) TSHRCYP3A4MC4RL3MBTL1IDO1
SCHEMBL18488721 0.82 CYP3A4 (0.41) TSHRCYP3A4MC4RIDO1TDO2
SCHEMBL19388419 0.81 TSHR (0.48) TSHRCYP3A4GABRA1GABRB2L3MBTL1
SCHEMBL21259868 0.81 TSHR (0.48) TSHRCYP3A4GABRA1GABRB2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS BIOARDIS LLC 2023-02-02 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
EP-3567030-B1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC (CN) 2022-02-09 EP disclosed
US-11191752-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2021-12-07 US disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
WO-2009124103-A2 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH PAR4 ANTAGONISTS SCHERING CORPORATION (US) 2009-10-08 WO disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 TSHR 89/4885CYP3A4 1527/4885MC4R 911/4885
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS ENTPD5, ENTPD1, NT5E TSHR 2645/4885CYP3A4 2184/4885MC4R 2933/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R TSHR 238/4885CYP3A4 4171/4885MC4R 5/4885
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2723/4885CYP3A4 1164/4885MC4R 3316/4885
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD TSHR 3974/4885CYP3A4 27/4885MC4R 1800/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2724/4885CYP3A4 1269/4885MC4R 3625/4885
US-11191752-B2 Compounds and methods of treating retinal degeneration PDE6A, PDE6H, PDE6D TSHR 2386/4885CYP3A4 4455/4885MC4R 1861/4885

“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.