SCHEMBL179542

SCHEMBL179542

COc1ccc(C(C)(C)C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LPAR1 Q92633 1/20 0.39

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
SCHEMBL9117899 0.83 GAA (0.41) GAAALDH1A1CA1CA2CA12
SCHEMBL21226994 0.83 ACHE (0.42) GAAALDH1A1CA1CA2CA12
SCHEMBL9885331 0.83 CA1 (0.52) GAAALDH1A1CA1CA2CA12
SCHEMBL10320491 0.82 CA1 (0.56) GAAALDH1A1CA1CA2CA12
SCHEMBL21446957 0.81 CYP11B1 (0.44) GAACA1CA2CA12CA7
SCHEMBL12904906 0.80 CASP1 (0.39) GAAALDH1A1CA1CA2CA12
SCHEMBL3229459 0.80 CA1 (0.48) GAAALDH1A1CA1CA2CA12
SCHEMBL19504075 0.79 PDIA6 (0.46) GAAALDH1A1CYP1A2SMN1; SMN2HTT
SCHEMBL1159876 0.79 ALDH1A1 (0.35) GAAALDH1A1CA1CA2CYP1A2
SCHEMBL21718852 0.79 ALDH1A1 (0.36) GAAALDH1A1CA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-11834689-B2 Incorporation of unnatural nucleotides and methods thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2023-12-05 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230293518-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230293518-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-7319097-B2 Treatment of type II diabetes with benzenesulfonamide substituted with an N-heterocycle: N-[2-amino-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide, N-[4-amino-5-(piperazinyl)phenyl]benzenesulfonamide, 3-amino-4-(5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-N-phenyl-benzenesulfonamide hydrochloride BIOVITRUM AB (SE) 2008-01-15 US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
WO-2007022258-A1 NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 WO disclosed
US-7173035-B2 Arylsulfonamide compounds BIOVITRUM AB (SE) 2007-02-06 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (12 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-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA GAA 1675/4885ALDH1A1 1105/4885CA1 4873/4885
US-20230293518-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 GAA 189/4885ALDH1A1 308/4885CA1 4882/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP GAA 229/4885ALDH1A1 252/4885CA1 2588/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD GAA 448/4885ALDH1A1 2457/4885CA1 3461/4885
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA GAA 1675/4885ALDH1A1 1105/4885CA1 4873/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A GAA 4052/4885ALDH1A1 814/4885CA1 4027/4885
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA GAA 1675/4885ALDH1A1 1105/4885CA1 4873/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 GAA 1973/4885ALDH1A1 2379/4885CA1 3838/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R GAA 4213/4885ALDH1A1 809/4885CA1 2812/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 GAA 3243/4885ALDH1A1 4225/4885CA1 4042/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB GAA 1479/4885ALDH1A1 2702/4885CA1 4377/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 GAA 712/4885ALDH1A1 1357/4885CA1 2104/4885

“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.