SCHEMBL139407

SCHEMBL139407

C[CH]c1ccc(C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.61
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PIM1 P11309 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL30075786 0.80 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL23918549 0.80 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL8073887 0.80 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL1137519 0.79 TYR (0.56) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL9405638 0.79 TYR (0.56) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL11554074 0.79 TYR (0.56) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL2187090 0.78 ALDH1A1 (0.38) TYRKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL104124 0.78 TYR (0.58) TYRMAPK1KDM4EPTGS1NPSR1
SCHEMBL2591233 0.76 TYR (0.58) TYRMAPK1KDM4EGRIN2DGRIN3B
Cuminaldehyde SCHEMBL87226 0.76 TYR (1.00) TYRMAPK1KDM4EGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP claimed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US claimed
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO claimed
WO-2023246009-A1 OLEFIN POLYMERIZATION METALLOCENE CATALYST COMPOSITION, PREPARATION THEREOF AND USE THEREOF 中国石油天然气股份有限公司 2023-12-28 WO disclosed
WO-2023240961-A1 ETHYLENE-PROPYLENE COPOLYMERIZATION CATALYST COMPOSITION, AND PREPARATION AND USE THEREOF 中国石油天然气股份有限公司 2023-12-21 WO disclosed
US-20200062874-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2020-02-27 US disclosed
CN-106833372-B Coating composition, application member, the manufacturing method of application member and washing machine 日立环球生活方案株式会社 2019-11-22 CN disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 US disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 EP disclosed
EP-0182157-B1 ESTER DERIVATIVES OF ANTIBIOTIC L 17046 GRUPPO LEPETIT S.p.A. (IT) 1992-07-15 EP disclosed
CN-1047859-A Benzo cycloalkane derivatives and preparation method thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-12-19 CN disclosed
US-4954483-A BACTERICIDE, ANIMAL GROWTH PROMOTER GRUPPO LEPETIT, S.P.A. (IT) 1990-09-04 US disclosed
US-4914187-A REACTING PROTECTED ANTIBIOTIC DERIVATIVE WITH ORGANIC HALIDE IN POLAR APROTIC SOLVENT GRUPPO LEPETIT S.P.A (IT) 1990-04-03 US disclosed
EP-0216775-B1 CARBOXYLIC ACID ESTER DERIVATIVES OF DEGLUCOTEICOPLANIN GRUPPO LEPETIT S.p.A. (IT) 1989-05-03 EP disclosed
US-4661470-A MICROBIOCIDES GRUPPO LEPETIT S.P.A. (IT) 1987-04-28 US disclosed
EP-0216775-A1 CARBOXYLIC ACID ESTER DERIVATIVES OF DEGLUCOTEICOPLANIN. LEPETIT SPA (IT) 1987-04-08 EP disclosed
EP-0182157-A2 Ester derivatives of antibiotic L 17046 GRUPPO LEPETIT S.p.A. (IT) 1986-05-28 EP disclosed
WO-1986000075-A1 CARBOXYLIC ACID ESTER DERIVATIVES OF DEGLUCOTEICOPLANIN GRUPPO LEPETIT S.P.A. (IT) 1986-01-03 WO 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 (4 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR TYR 1390/4885MAPK1 1125/4885KDM4E 3040/4885
US-20200062874-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF ORC3, ORMDL3, OR51E2 TYR 3551/4885MAPK1 3745/4885KDM4E 3517/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 TYR 627/4885MAPK1 3241/4885KDM4E 2757/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C TYR 2625/4885MAPK1 409/4885KDM4E 3895/4885

“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.