SCHEMBL83877

SCHEMBL83877

CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)cc2OCCCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LTB4R Q15722 2/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
S1PR1 P21453 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
Hydrochloric Acid SCHEMBL66810 0.99 RXRA (0.42) RXRAALDH1A1NPSR1HPGDMAPK1
SCHEMBL69700 0.99 RXRA (0.42) RXRAALDH1A1NPSR1HPGDMAPK1
Hydrochloric Acid SCHEMBL67161 0.98 RXRA (0.42) RXRAALDH1A1NPSR1HPGDMAPK1
SCHEMBL67781 0.96 RXRA (0.39) RXRAALDH1A1NPSR1HPGDMAPK1
SCHEMBL67825 0.95 ATM (0.41) RXRAALDH1A1NPSR1HPGDMAPK1
SCHEMBL69413 0.94 HPGD (0.40) RXRAALDH1A1NPSR1HPGDMAPK1
Hydrochloric Acid SCHEMBL66900 0.93 HPGD (0.39) RXRAALDH1A1NPSR1HPGDMAPK1
SCHEMBL67639 0.92 TLR7 (0.38) RXRAALDH1A1NPSR1HPGDMAPK1
SCHEMBL67987 0.92 KCNH2 (0.37) RXRAALDH1A1NPSR1HPGDMAPK1
SCHEMBL68134 0.92 FFAR4 (0.43) NPSR1HPGDMAPK1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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
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

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 RXRA 5/4885ALDH1A1 624/4885NPSR1 1230/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA RXRA 6/4885ALDH1A1 486/4885NPSR1 672/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA RXRA 6/4885ALDH1A1 486/4885NPSR1 672/4885

“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.