SCHEMBL614577

SCHEMBL614577

CCC/C=C/c1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
TYMP P19971 1/20 0.31
CXCR5 P32302 2/20 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
SCHEMBL294594 1.00 TLR8 (0.37) TLR8TYMPCXCR5
SCHEMBL27295154 1.00 TLR8 (0.37) TLR8TYMPCXCR5
SCHEMBL613043 0.89 CYP1A2 (0.35)
SCHEMBL613045 0.89 CYP1A2 (0.35)
SCHEMBL676881 0.87 SOAT2 (0.37)
SCHEMBL676882 0.87 SOAT2 (0.37)
SCHEMBL5206578 0.86 SOAT2 (0.39)
SCHEMBL5207243 0.86 SOAT2 (0.39)
SCHEMBL5207912 0.86 SOAT2 (0.39)
SCHEMBL5204821 0.86 SOAT2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024099911-A1 IRON CARBONYL COMPLEXES WITH CHIRAL, BIDENTATE BIPHOSPHINE LIGANDS BASF SE (DE) 2024-05-16 WO disclosed
US-RE49036-E1 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2022-04-19 US disclosed
EP-3489213-B1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2021-04-28 EP disclosed
EP-3489213-A1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-05-29 EP disclosed
US-10301244-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2019-05-28 US disclosed
EP-3233778-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-02-20 EP disclosed
US-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-08-30 US disclosed
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 US disclosed
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-03-01 US disclosed
EP-3233778-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2017-10-25 EP disclosed
WO-2003057235-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2003-07-17 WO disclosed
US-6590071-B1 Increasing the delivery of hydrophilic amine containing compounds to the cell having a mucosal barrier, in which a compound of given formula penetrates the mucosal barrier of the cell; free amine is liberated by hydrolysis UNIVERSITY OF SOUTHERN CALIFORNIA 2003-07-08 US disclosed
WO-2003027637-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2003-04-03 WO disclosed
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 WO disclosed
EP-1137631-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2001-10-04 EP disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
WO-2000034236-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-06-15 WO disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed
CN-1163271-A Process for preparing peptide derivative FUJISAWA PHARMACEUTICAL INDUST (JP) 1997-10-29 CN disclosed
CN-1036795-A PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1989-11-01 CN 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 (3 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-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 TLR8 3559/4885TYMP 2607/4885CXCR5 145/4885
US-10301244-B2 Method for synthesizing optically active carbonyl compounds CBR3, CBR1, HRH4 TLR8 3559/4885TYMP 2607/4885CXCR5 145/4885
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 TLR8 3559/4885TYMP 2607/4885CXCR5 145/4885

“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.