SCHEMBL68850

SCHEMBL68850

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OCC)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
STAT3 P40763 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SYK P43405 4/20 0.37

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
SCHEMBL5759649 0.92 RAB9A (0.37) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL68150 0.89 NPC1 (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2085623 0.87 CYP4F2 (0.41) HPGDPPARGPPARASYKEPHX2
SCHEMBL2086788 0.87 CYP4F2 (0.41) HPGDPPARGPPARASYKEPHX2
SCHEMBL1749615 0.85 NPC1 (0.37) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1749698 0.84 NPC1 (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2085088 0.83 PTGS2 (0.49) PPARGPPARASYK
SCHEMBL4210576 0.82 MGLL (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4210585 0.82 MGLL (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1749462 0.82 PPARA (0.42) RAB9ANPC1ALDH1A1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RES & DEV (FR) 2013-11-14 US disclosed
US-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 US disclosed
US-8129416-B2 Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-06 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-31 US disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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 (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-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA RAB9A 2237/4885NPC1 985/4885SMN1; SMN2 4797/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA RAB9A 1886/4885NPC1 1167/4885SMN1; SMN2 4790/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA RAB9A 1886/4885NPC1 1167/4885SMN1; SMN2 4790/4885

“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.