SCHEMBL803445

SCHEMBL803445

Cc1cc(C(C)C)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
CRHR1 P34998 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL19007329 0.85 NOS3 (0.43) POLBAPOBEC3GLMNAMAPK1CRHR1
SCHEMBL10204247 0.83 LMNA (0.33) POLBAPOBEC3GLMNAMAPK1CRHR1
SCHEMBL10204248 0.83 NOS2 (0.54) MAPK1NOS3NOS1NOS2ALDH1A1
SCHEMBL17682694 0.83 MAPK1 (0.33) POLBAPOBEC3GLMNAMAPK1CRHR1
SCHEMBL17618309 0.83 CRHR1 (0.38) MAPK1CRHR1
SCHEMBL12899792 0.83 PTGS1 (0.39) LMNAMAPK1CRHR1GABRA1GABRB2
SCHEMBL10204245 0.83 LMNA (0.38) LMNAMAPK1CRHR1TP53ALDH1A1
SCHEMBL13485708 0.79 NOS3 (0.57) LMNAMAPK1CRHR1NOS3NOS2
SCHEMBL17682698 0.79 NOS3 (0.39) MAPK1CRHR1NOS3NOS2TP53
SCHEMBL13085710 0.79 POLQ (0.39) LMNACRHR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035618-B2 Electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2024-07-09 US disclosed
US-20240217990-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2024-07-04 US disclosed
WO-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 WO disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
EP-4038059-B1 SUBSTITUTED CARBAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-20 EP disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-4684693-A Thermosettable polymer or prepolymer prepared from heterocyclic materials containing a nitrogen atom and carboxylic acid mono- or dianhydride with N,N'-bis-imide THE DOW CHEMICAL COMPANY (US) 1987-08-04 US disclosed
US-4668767-A Thermosettable polymer or prepolymer prepared from heterocyclic material containing a nitrogen atom and carboxylic acid mono- or dianhydride THE DOW CHEMICAL COMPANY (US) 1987-05-26 US disclosed
US-4647616-A Thermosettable polymer or prepolymer prepared from herterocycle material containing a nitrogen atom and carboxylic acid mono- or dianhydride THE DOW CHEMICAL COMPANY (US) 1987-03-03 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 (10 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 POLB 380/4885APOBEC3G 2324/4885LMNA 170/4885
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 POLB 3162/4885APOBEC3G 4839/4885LMNA 1121/4885
US-12035618-B2 Electroluminescent devices ELAVL1, ELAVL3, JUND POLB 1033/4885APOBEC3G 1230/4885LMNA 2563/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 POLB 4152/4885APOBEC3G 3148/4885LMNA 4844/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 POLB 1905/4885APOBEC3G 4851/4885LMNA 4536/4885
US-20240217990-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 POLB 2922/4885APOBEC3G 3727/4885LMNA 1961/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 POLB 113/4885APOBEC3G 2262/4885LMNA 145/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 POLB 469/4885APOBEC3G 2225/4885LMNA 3978/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR POLB 4131/4885APOBEC3G 554/4885LMNA 3407/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 POLB 1067/4885APOBEC3G 4730/4885LMNA 3164/4885

“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.