SCHEMBL4492702

SCHEMBL4492702

Cc1ccc(C(C)CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
STAT3 P40763 1/20 0.48
ABCB11 O95342 1/20 0.46
TRPA1 O75762 3/20 0.43
GRIA4 P48058 1/20 0.42
CHRNA7 P36544 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.39
FFAR1 O14842 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL20811781 1.00 ACHE (0.53) ACHESTAT3ABCB11TRPA1GRIA4
SCHEMBL12195408 1.00 ACHE (0.53) ACHESTAT3ABCB11TRPA1GRIA4
Alcohol SCHEMBL7608913 0.95 ACHE (0.50) ACHESTAT3ABCB11TRPA1GRIA4
SCHEMBL2641075 0.89 ABCB11 (0.52) ACHEABCB11TRPA1ESR1ESR2
SCHEMBL11041781 0.88 GRIA4 (0.50) ACHESTAT3ABCB11GRIA4GAA
SCHEMBL10396706 0.82 ABCB11 (0.47) ABCB11TRPA1ESR1ESR2FFAR1
SCHEMBL9694221 0.82 ABCB11 (0.47) ABCB11TRPA1GRIA4ESR1ESR2
SCHEMBL6933308 0.82 ABCB11 (0.47) ACHESTAT3ABCB11TRPA1ESR1
SCHEMBL10396707 0.82 ABCB11 (0.47) ABCB11TRPA1ESR1ESR2FFAR1
SCHEMBL12746758 0.82 ACHE (0.40) ACHESTAT3ABCB11TRPA1GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2096572-A None JP disclosed
CN-118955244-A Method for preparing primary alcohol by homogeneously catalyzing and reducing carboxylic acid derivative by using N-heterocyclic carbene copper complex 延安大学 2024-11-15 CN disclosed
US-20240327764-A1 Manufacturing a Distilled Spirit Based Functional Ingredient BROCIA ROBERT (US) 2024-10-03 US disclosed
CN-117794861-A Process for producing pellets comprising magnesium ion containing material OMYA国际股份公司 2024-03-29 CN disclosed
CN-113244117-B Compositions providing delayed release of active substances 诺赛尔股份有限公司 2023-10-20 CN disclosed
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 WO disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
WO-2021160768-A1 COMPOUNDS USEFUL AS ANTI-VIRAL AGENTS NATURE CRETE PHARMACEUTICALS PC (GR) 2021-08-19 WO disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-7300639-B2 Process for removing metals from liquids BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-20030032806-A1 Oxidation of carbon-boron bonds CAI WEILING (US) 2003-02-13 US disclosed
US-20020049352-A1 Oxidation of carbon-boron bonds CAI WEILING (US) 2002-04-25 US disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-1167329-A2 Oxidation of carbon-boron bonds Pfizer Products Inc. (US) 2002-01-02 EP disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
JP-H0296572-A (-)-3-(P-TOLYL)GLYCIDOL ADEKA ARGUS CHEM CO LTD 1990-04-09 JP disclosed
US-4346242-A Method for preparing substituted meta-phenylalkoxynitrobenzenes AMERICAN CYANAMID COMPANY (US) 1982-08-24 US disclosed
US-3968131-A POLYOXYETHYLENE GLYCOL BASF AKTIENGESELLSCHAFT (DT) 1976-07-06 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 (5 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ACHE 4750/4885STAT3 384/4885ABCB11 2337/4885
US-20030032806-A1 Oxidation of carbon-boron bonds CYBB, FOSB, SCO2 ACHE 4086/4885STAT3 2373/4885ABCB11 1860/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ACHE 4750/4885STAT3 384/4885ABCB11 2337/4885
US-20020049352-A1 Oxidation of carbon-boron bonds CYBB, FOSB, SCO2 ACHE 4086/4885STAT3 2373/4885ABCB11 1860/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ACHE 4750/4885STAT3 384/4885ABCB11 2337/4885

“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.