SCHEMBL1294597

SCHEMBL1294597

Cc1cc(C)c2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 4/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CYP2C19 P33261 2/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ATM Q13315 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL29713811 1.00 RXFP1 (0.47) RXFP1CYP1A2CYP2A6ALDH1A1HSD17B10
Ethoxycarbonyl Group SCHEMBL27551543 0.80 NR3C1 (0.35) RXFP1CYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL29507097 0.78 AHR (0.45) RXFP1CYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL1019021 0.78 AHR (0.45) RXFP1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL915763 0.78 RPS6KA3 (0.40) RXFP1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL24037999 0.78 ALDH1A1 (0.37) RXFP1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL1019925 0.78 AHR (0.45) RXFP1CYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL827753 0.78 RHEB (0.50) ALDH1A1HSD17B10HPGDALOX15AHR
SCHEMBL12113048 0.78 ALDH1A1 (0.37) RXFP1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL15826435 0.78 RHEB (0.50) ALDH1A1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045724-B Phosphonic acid water reducing agent containing indole skeleton structure, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-08 CN claimed
CN-113045724-A Phosphonic acid water reducing agent containing indole skeleton structure, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2021-06-29 CN claimed
CN-109485650-A The method of level-one amine guiding building 8,10- dimethyl -6- Phenylindole simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-03-19 CN claimed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
WO-2023116594-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海安诺达生物科技有限公司 2023-06-29 WO disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
WO-2022268025-A1 ATR INHIBITOR AND USE THEREOF 成都苑东生物制药股份有限公司 2022-12-29 WO disclosed
CN-113045724-B Phosphonic acid water reducing agent containing indole skeleton structure, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-08 CN disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
WO-2021144440-A1 QUINOXALINE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR Grünenthal GmbH (DE) 2021-07-22 WO disclosed
CN-113045724-A Phosphonic acid water reducing agent containing indole skeleton structure, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2021-06-29 CN disclosed
JP-2002053552-A METHOD FOR PRODUCING 4,6-DIMETHYLINDOLE AND DERIVATIVE THEREOF SANKYO CO LTD 2002-02-19 JP disclosed
EP-0866059-B1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF KYOTO PHARMA IND (JP) 2001-12-05 EP disclosed
EP-1136474-A1 1-Acetyl-5-bromo-4,6-dimethyl-indoline SANKYO COMPANY LIMITED (JP) 2001-09-26 EP disclosed
US-6200988-B1 TETRAHYDROQUINOLINE DERIVATES; INHIBITORS OF ACYL COA:CHOLESTEROL ACYLTRANSFERASE AND LIPOPEROXIDATION; ARTERIOSCLEROSIS: CARDIOVASCULAR AND BRAIN DISORDERS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-03-13 US disclosed
US-6127403-A AN ENZYME INHIBITOR FOR TREATING ARTERIOSCLEROTIC LESIONS OF ARTERIOSCLEROSIS, HYPERLIPEMIA AND DIABETES, AS WELL AS ISCHEMIC DISEASES OF BRAIN, HEART SANKYO COMPANY, LTD. (JP) 2000-10-03 US disclosed
US-6063806-A CARBOXY ACID OR ESTER DERIVATIVES OF INDOLINE OR INDOLE KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
US-5990150-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS AND LIPOPEROXIDATION INHIBITORY ACTIVITY; ANTILIPEMIA; ARTERIOSCLEROSIS; ANTICHOLESTEROL AGENTS; ANTIISCHEMIC AGENTS; SIDE EFFECT REDUCTION SANKYO COMPANY, LTD. (JP) 1999-11-23 US disclosed
EP-0866059-A1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1998-09-23 EP disclosed
EP-0782986-A1 NOVEL HETEROCYCLIC DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1997-07-09 EP 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 (2 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 RXFP1 2568/4885CYP1A2 4272/4885CYP2A6 3027/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 RXFP1 2568/4885CYP1A2 4272/4885CYP2A6 3027/4885

“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.