SCHEMBL3949869

SCHEMBL3949869

CCCCCCCNC(=O)N(C)c1ccc(F)c(-c2ccc(CC(OCC)C(=O)N3CCOCC3)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.34
QPCT Q16769 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
TSHR P16473 1/20 0.33
REN P00797 1/20 0.32
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL3944779 0.90 TRPV1 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3943668 0.87 TACR2 (0.38) NAPEPLD
SCHEMBL3953809 0.80 TACR2 (0.37) NAPEPLD
SCHEMBL1749618 0.80 QPCT (0.36) QPCTNAPEPLDALDH1A1
SCHEMBL3951400 0.80 TACR2 (0.41) NAPEPLDREN
SCHEMBL3945792 0.79 PLG (0.38) NAPEPLDREN
SCHEMBL3949116 0.79 PTGS2 (0.36) REN
SCHEMBL1749734 0.79 P2RY12 (0.37) NAPEPLDTSHRREN
SCHEMBL3946490 0.79 PLG (0.37) REN
SCHEMBL3950705 0.78 ADRB3 (0.33) MAPK1ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US claimed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US claimed
EP-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP claimed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 WO claimed
US-7582663-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-01 US disclosed
US-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2008-03-20 US disclosed
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US disclosed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US disclosed
EP-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP disclosed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 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 (2 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-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD MLYCD 1199/4885QPCT 3455/4885HDAC3 695/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD MLYCD 1245/4885QPCT 3585/4885HDAC3 444/4885

“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.