SCHEMBL16670387

SCHEMBL16670387

COCCCc1cccc(CCCOC)c1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
PTGS2 P35354 1/20 0.51
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
IAPP P10997 3/20 0.39
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.37
DAO P14920 1/20 0.37
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28318473 0.92 ALOX5 (0.53) ALOX5PTGS2GABRA1GABRB2
SCHEMBL2150980 0.82 MPO (0.50) TSHRIDO1
SCHEMBL15184061 0.78 TSHR (0.39) ALOX5PTGS2TSHRIDO1DAO
SCHEMBL22991758 0.78 IAPP (0.55) ALOX5PTGS2IAPPALDH1A1
SCHEMBL2806496 0.78 CYP4F2 (0.50) ALOX5PTGS2TSHRALDH1A1
SCHEMBL9749140 0.77
SCHEMBL30529905 0.76 ESR1 (0.38) ALOX5PTGS2ALDH1A1
SCHEMBL30368095 0.76 MPO (0.49) IDO1
SCHEMBL201764 0.76 ALOX5 (0.61) ALOX5PTGS2GABRA1GABRB2IAPP
SCHEMBL8819214 0.75 TAAR1 (0.52) ALOX5PTGS2TSHRDAOALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110312698-A Between producing high-purity, bis- (4- alkylphenol) derivatives of m- coupling and application thereof 鲁汶天主教大学 2019-10-08 CN disclosed
US-9783474-B2 Catalytic biomass conversion methods, catalysts, and methods of making the same PURDUE RESEARCH FOUNDATION (US) 2017-10-10 US disclosed
US-20160289150-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME PURDUE RESEARCH FOUNDATION (US) 2016-10-06 US disclosed
EP-3060718-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME Purdue Research Foundation (US) 2016-08-31 EP disclosed
WO-2015061802-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME PURDUE RESEARCH FOUNDATION (US) 2015-04-30 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 (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-20160289150-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME HAO2, HPD, HAAO ALOX5 80/4885PTGS2 873/4885GABRA1 2020/4885

“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.