SCHEMBL758674

SCHEMBL758674

COc1ccc(C(=O)C(C)C)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA7 P43166 1/20 0.63
TPMT P51580 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 4/20 0.54
KDM4E B2RXH2 1/20 0.53
DBH P09172 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL25139437 0.90 HIF1A (0.53) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10335852 0.89 TSHR (0.66) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10601731 0.89 TSHR (0.66) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10764969 0.89 TSHR (0.66) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5453142 0.87 TSHR (0.51) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9036333 0.87 TSHR (0.63) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19935014 0.87 TSHR (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25139440 0.85 TSHR (0.49) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10026167 0.85 TSHR (0.61) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4764758 0.85 TSHR (0.61) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
WO-2023033605-A1 METHOD FOR SCREENING SOLVENT FOR EXTRACTING POLYVINYL CHLORIDE, METHOD FOR RECYCLING WASTE, RECYCLED POLYVINYL CHLORIDE, AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO claimed
EP-0285890-B1 NEW PROCESS FOR THE SYNTHESIS OF THE ALPHA-(1-METHYLETHYL)-3,4-DIMETHOXYBENZENE-ACETONITRILE ALFA WASSERMANN SPA (IT) 1992-11-19 EP claimed
US-5097058-A Process for the synthesis of the α-(-methyl-ethyl)-3,4-dimethoxybenzene-acetonitrile ALFA WASSERMANN S.P.A. (IT) 1992-03-17 US claimed
EP-0285890-A2 New process for the synthesis of the alpha-(1-methylethyl)-3,4-dimethoxybenzene-acetonitrile Alfa Chemicals Italiana S.r.l. (IT) 1988-10-12 EP claimed
US-20240201575-A1 PHOTOSENSITIVE SURFACE TREATMENT AGENT, LAMINATE, TRANSISTOR, METHOD FOR FORMING PATTERN AND METHOD FOR MANUFACTURING TRANSISTOR NIKON CORPORATION (JP) 2024-06-20 US disclosed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-117813550-A Photosensitive surface treating agent, laminate, transistor, pattern forming method, and method for manufacturing transistor 株式会社尼康 2024-04-02 CN disclosed
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 EP disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2023033605-A1 METHOD FOR SCREENING SOLVENT FOR EXTRACTING POLYVINYL CHLORIDE, METHOD FOR RECYCLING WASTE, RECYCLED POLYVINYL CHLORIDE, AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO disclosed
WO-2023022042-A1 PHOTOSENSITIVE SURFACE TREATMENT AGENT, LAMINATE, TRANSISTOR, PATTERN FORMATION METHOD, AND TRANSISTOR MANUFACTURING METHOD 株式会社ニコン 2023-02-23 WO disclosed
EP-0261977-B1 CATECHOL DERIVATIVES, AND PREVENTIVE AND REMEDIAL PREPARATIONS FOR REGRESSIVE DISORDERS IN THE CENTRAL NERVOUS SYSTEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-04 EP disclosed
US-4985458-A TREATMENT OF ALZHEIMER*S DISEASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-15 US disclosed
US-4900823-A PHOTOINITIATORS FOR PHOTOCURING CIBA-GEIGY CORPORATION (US) 1990-02-13 US disclosed
EP-0285890-A2 New process for the synthesis of the alpha-(1-methylethyl)-3,4-dimethoxybenzene-acetonitrile Alfa Chemicals Italiana S.r.l. (IT) 1988-10-12 EP disclosed
EP-0285890-A2 New process for the synthesis of the alpha-(1-methylethyl)-3,4-dimethoxybenzene-acetonitrile Alfa Chemicals Italiana S.r.l. (IT) 1988-10-12 EP disclosed
US-4739052-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1988-04-19 US disclosed
EP-0261977-A2 Catechol derivatives, and preventive and remedial preparations for regressive disorders in the central nervous system MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-30 EP disclosed
US-4559371-A FOR PRINTING INKS AND PAINTS CIBA GEIGY CORPORATION (US) 1985-12-17 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 (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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 TSHR 3996/4885CYP1A2 3613/4885CYP3A4 3696/4885
US-20240201575-A1 PHOTOSENSITIVE SURFACE TREATMENT AGENT, LAMINATE, TRANSISTOR, METHOD FOR FORMING PATTERN AND METHOD FOR MANUFACTURING TRANSISTOR CDH1, DSG1, KRT18 TSHR 2125/4885CYP1A2 797/4885CYP3A4 460/4885

“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.