SCHEMBL6449013

SCHEMBL6449013

CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1CC(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.63
▸ ALDH1A1 P00352 5/20 0.63
▸ HSD17B10 Q99714 4/20 0.63
▸ PPARG P37231 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ ABCC3 O15438 1/20 0.63
▸ ABCC4 O15439 1/20 0.63
▸ USP2 O75604 1/20 0.63
▸ ABCB11 O95342 1/20 0.63
▸ CHRM2 P08172 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ ADRA2A P08913 1/20 0.63
▸ ADORA3 P0DMS8 1/20 0.63
▸ CHRM1 P11229 1/20 0.63
▸ ACE P12821 1/20 0.63
▸ ADRA2C P18825 1/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ GLRA1 P23415 1/20 0.63
▸ PDE4A P27815 1/20 0.63
▸ HTR2A P28223 1/20 0.63

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
SCHEMBL7046615 0.89 PPARG (0.68) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL9139364 0.89 PPARG (0.66) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL9137178 0.88 PPARG (0.65) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL6458741 0.85 CYP2C9 (0.49) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL6449372 0.84 PPARG (0.66) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL6450185 0.82 PPARG (0.61) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL8297928 0.81 KDM4E (0.59) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL5336632 0.81 PPARG (0.72) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL1775986 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10PPARGCYP2C9
SCHEMBL3229877 0.81 PPARG (0.84) KDM4EALDH1A1HSD17B10PPARGCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof BETHESDA PHARMACEUTICALS, INC. 2005-01-27 — — US disclosed
WO-2004082621-A2 NOVEL PPAR AGONISTS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BETHESDA PHARMACEUTICALS, INC. (US) 2004-09-30 — — 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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof PPARG, PPARD, PPARA KDM4E 3275/4885ALDH1A1 585/4885HSD17B10 744/4885

“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.

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