SCHEMBL4259141

SCHEMBL4259141

COc1ccc(/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 5/20 0.64
LMNA P02545 1/20 0.62
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 3/20 0.59
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
USP2 O75604 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL4259143 1.00 ALDH1A1 (0.64) ALDH1A1KDM4ELMNACYP2D6CYP2C9
SCHEMBL4270211 0.88 GPBAR1 (0.66) ALDH1A1KDM4ELMNAGAATSHR
SCHEMBL4270209 0.88 GPBAR1 (0.66) ALDH1A1KDM4ELMNAGAATSHR
SCHEMBL4262072 0.87 GPBAR1 (0.64) ALDH1A1KDM4ELMNAGAATSHR
SCHEMBL4262069 0.87 GPBAR1 (0.64) ALDH1A1KDM4ELMNAGAATSHR
SCHEMBL12555929 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAHSD17B10
SCHEMBL1974985 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ELMNACYP2D6CYP2C9
SCHEMBL1974982 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ELMNACYP2D6CYP2C9
SCHEMBL29483631 0.85 KDM4E (0.77) ALDH1A1KDM4ELMNACYP2D6CYP2C9
SCHEMBL4257232 0.85 KDM4E (0.50) ALDH1A1KDM4ELMNAGAAHSD17B10

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
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 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 (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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ALDH1A1 488/4885KDM4E 4379/4885LMNA 900/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ALDH1A1 488/4885KDM4E 4379/4885LMNA 900/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ALDH1A1 488/4885KDM4E 4379/4885LMNA 900/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ALDH1A1 488/4885KDM4E 4379/4885LMNA 900/4885

“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.