SCHEMBL7054077

SCHEMBL7054077

CCCCCC1/C=C/C(=O)CCCCCCCCC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
PPARG P37231 2/20 0.37
NLRP3 Q96P20 2/20 0.37
GRM2 Q14416 6/20 0.33
DNTT P04053 1/20 0.33
CES2 O00748 1/20 0.32
PRKCA P17252 1/20 0.32

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
SCHEMBL31493319 1.00 CYP1A2 (0.44) CYP1A2PPARGNLRP3GRM2DNTT
SCHEMBL6010384 0.79 PPARG (0.54) CYP1A2PPARGGRM2DNTTPRKCA
SCHEMBL28111700 0.75 CYP1A2 (0.54) CYP1A2PPARGGRM2PRKCA
SCHEMBL3104341 0.75 CYP1A2 (0.51) CYP1A2PPARGGRM2DNTTPRKCA
SCHEMBL23611195 0.73 CYP1A2 (0.57) CYP1A2PPARGGRM2PRKCA
SCHEMBL3505080 0.73 PDCD4 (0.40) CYP1A2PPARGNLRP3GRM2DNTT
SCHEMBL27309398 0.73 CYP1A2 (0.56) CYP1A2PPARGGRM2PRKCA
SCHEMBL9618293 0.72 CYP1A2 (0.44) CYP1A2PPARGGRM2DNTT
SCHEMBL17074077 0.72 CYP1A2 (0.59) CYP1A2PPARGGRM2PRKCA
SCHEMBL1895638 0.72 PDCD4 (0.43) CYP1A2PPARGNLRP3GRM2DNTT

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
JP-6220037-A None JP disclosed
US-6639089-B2 Therapy, side effect reduction SODA AROMATIC CO., LTD. 2003-10-28 US disclosed
US-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids SODA AROMATIC CO., LTD. A JAPANESE CORPORATION (JP) 2003-03-20 US disclosed
EP-1249236-A1 ANTICANCER AGENTS, PERFUMES OR FOODS AND DRINKS CONTAINING $g(v)-HYDROXYFATTY ACIDS SODA AROMATIC COMPANY, LIMITED (JP) 2002-10-16 EP disclosed
JP-H06220037-A NEW MACROLIDE COMPOUND 10-OXO-11@(3754/24)E)-OCTADECEN-13-OLIDE, ITS PRODUCTION AND ANTITUMOR AGENT USING THE SAME TAMANOISU KK 1994-08-09 JP 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-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids ALOX5, ELOVL5, ELOVL3 CYP1A2 640/4885PPARG 192/4885NLRP3 3799/4885

“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.