SCHEMBL6124148

SCHEMBL6124148

Cc1cc(Cl)cc(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB1 P18505 1/20 0.39
RAPGEF4 Q8WZA2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PTGS1 P23219 2/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
CACNA1C Q13936 1/20 0.32
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL11574451 0.84 GABRA1 (0.46) GABRA1GABRB1HTTLMNAALDH1A1
SCHEMBL422198 0.84 TSHR (0.50) GABRA1GABRB1HTTLMNAALDH1A1
Ammonia Solution, Strong SCHEMBL5676040 0.81 TSHR (0.47) GABRA1GABRB1HTTLMNAALDH1A1
SCHEMBL19832777 0.81 RAPGEF4 (0.32) GABRA1GABRB1RAPGEF4TSHR
SCHEMBL17025364 0.81 GABRA1 (0.37) GABRA1GABRB1RAPGEF4TSHR
SCHEMBL8737182 0.81 RAPGEF4 (0.32) GABRA1GABRB1RAPGEF4TSHR
SCHEMBL17025386 0.81 GABRA1 (0.37) GABRA1GABRB1RAPGEF4TSHR
SCHEMBL599485 0.81 ALDH1A1 (0.42) GABRA1SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL3363012 0.81 LMNA (0.40) GABRA1SMN1; SMN2NPSR1HTTLMNA
Hydrogen Peroxide SCHEMBL11577393 0.79 GABRA1 (0.48) GABRA1GABRB1HTTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 EP disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
WO-2023191379-A1 3,4-DIHYDROQUINOXALINE-2-CARBOXIMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASE 재단법인 대구경북첨단의료산업진흥재단 2023-10-05 WO disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230265110-A1 Proteasome Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-24 US disclosed
US-20090192099-A1 PRODRUGS OF HETEROARYL COMPOUNDS KORONIS PHARMACEUTICALS, INCORPORATED (US) 2009-07-30 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20080249097-A1 PRODRUGS OF HETEROARYL COMPOUNDS KORONIS PHARMACEUTICALS, INCORPORATION (US) 2008-10-09 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed
US-20070219200-A1 PRODRUGS OF HETEROARYL COMPOUNDS KORONOS PHARMACEUTICALS, INCORPORATED (US) 2007-09-20 US disclosed
US-7244732-B2 Prodrugs of heteroaryl compounds KORONIS PHARMACEUTICALS, INCORPORATED (US) 2007-07-17 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (14 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB1 3834/4885RAPGEF4 3925/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV GABRA1 376/4885GABRB1 321/4885RAPGEF4 1671/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB1 3834/4885RAPGEF4 3925/4885
US-20070219200-A1 PRODRUGS OF HETEROARYL COMPOUNDS TYMP, PNP, SLC29A1 GABRA1 3783/4885GABRB1 3280/4885RAPGEF4 1580/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 GABRA1 713/4885GABRB1 993/4885RAPGEF4 2572/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 GABRA1 713/4885GABRB1 993/4885RAPGEF4 2572/4885
US-20080249097-A1 PRODRUGS OF HETEROARYL COMPOUNDS TYMP, PNP, SLC29A1 GABRA1 3783/4885GABRB1 3280/4885RAPGEF4 1580/4885
US-20230265110-A1 Proteasome Inhibitors PSMB5, PSMG3, PSMB1 GABRA1 3786/4885GABRB1 3753/4885RAPGEF4 3077/4885
US-20090192099-A1 PRODRUGS OF HETEROARYL COMPOUNDS TYMP, PNP, SLC29A1 GABRA1 3783/4885GABRB1 3280/4885RAPGEF4 1580/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 GABRA1 3840/4885GABRB1 3878/4885RAPGEF4 4134/4885
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 GABRA1 3917/4885GABRB1 3927/4885RAPGEF4 3046/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL GABRA1 937/4885GABRB1 1235/4885RAPGEF4 2351/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H GABRA1 4582/4885GABRB1 4509/4885RAPGEF4 3673/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 GABRA1 2338/4885GABRB1 2808/4885RAPGEF4 677/4885

“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.