SCHEMBL3982854

SCHEMBL3982854

CC(C)(C)/C(C(=O)O)=C(\C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.35
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.31

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
SCHEMBL2935812 1.00 TSHR (0.41) TSHRALDH1A1TP53HMGCRCHRM1
SCHEMBL3982859 1.00 TSHR (0.41) TSHRALDH1A1TP53HMGCRCHRM1
SCHEMBL30040873 0.96 TSHR (0.39) TSHRALDH1A1TP53HMGCRCHRM1
SCHEMBL16277301 0.87 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL28298262 0.85 LDHA (0.42) TSHRALDH1A1
SCHEMBL13835001 0.83 ALDH1A1 (0.35) TSHRALDH1A1TP53
SCHEMBL29505156 0.83 FFAR3 (0.35) TSHRALDH1A1TP53FFAR3LCK
SCHEMBL8371327 0.81 ALDH1A1 (0.33) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL8374042 0.81 ALDH1A1 (0.33) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL6120498 0.81 ALDH1A1 (0.33) TSHRALDH1A1FFAR3LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4087850-A1 LIGANDS FOR TRANSITION METAL CATALYSTS Rutgers, the State University of New Jersey (US) 2022-11-16 EP claimed
EP-1231206-B1 Stabilized organic peroxidicarbonate compositions ATOFINA CHEM INC (US) 2004-03-17 EP claimed
EP-0987299-A1 Compositions containing radical-generating agents and phlegmatizers, use and process for the preparation of such compositions Elf Atochem Deutschland GmbH (DE) 2000-03-22 EP claimed
EP-0573037-B1 Coating agent for coating aluminium WACKER CHEMIE GMBH (DE) 1997-02-26 EP claimed
EP-0702059-B1 Crosslinked polymer-powder compositions WACKER CHEMIE GMBH (DE) 1996-12-18 EP claimed
EP-0702059-A1 Crosslinked polymer-powder compositions Wacker-Chemie GmbH (DE) 1996-03-20 EP claimed
EP-0573037-A1 Coating agent for coating aluminium Wacker-Chemie GmbH (DE) 1993-12-08 EP claimed
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP claimed
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed
EP-4087850-A1 LIGANDS FOR TRANSITION METAL CATALYSTS Rutgers, the State University of New Jersey (US) 2022-11-16 EP disclosed
US-7507522-B2 Photoresists comprising polymers derived from fluoroalcohol-substituted polycyclic monomers E. I. DUPONT DE NEMOURS AND COMPANY (US) 2009-03-24 US disclosed
US-20060217565-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-28 US disclosed
EP-0987299-B1 Compositions containing radical-generating agents and phlegmatizers, use and process for the preparation of such compositions ATOCHEM ELF DEUTSCHLAND (DE) 2006-07-26 EP disclosed
EP-0987299-A1 Compositions containing radical-generating agents and phlegmatizers, use and process for the preparation of such compositions Elf Atochem Deutschland GmbH (DE) 2000-03-22 EP disclosed
WO-1996041907-A1 FUSIBLE, CHLORINE-FREE VINYL ACETATE COPOLYMER FIBRE WACKER-CHEMIE GMBH (DE) 1996-12-27 WO disclosed
EP-0702059-B1 Crosslinked polymer-powder compositions WACKER CHEMIE GMBH (DE) 1996-12-18 EP disclosed
EP-0702059-A1 Crosslinked polymer-powder compositions Wacker-Chemie GmbH (DE) 1996-03-20 EP disclosed
US-5346803-A Chemical amplification type; large scale integrated microcircuits SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-09-13 US disclosed
EP-0573037-A1 Coating agent for coating aluminium Wacker-Chemie GmbH (DE) 1993-12-08 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 (1 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-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL TSHR 1710/4885ALDH1A1 3157/4885TP53 2582/4885

“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.