SCHEMBL68696

SCHEMBL68696

CCOC(=O)CCc1ccc(-c2cc(NC)ccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.53
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
CYP4Z1 Q86W10 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
FFAR1 O14842 1/20 0.40
PPID Q08752 1/20 0.38
CYP4F11 Q9HBI6 1/20 0.38
CYP4F12 Q9HCS2 1/20 0.38
PORCN Q9H237 1/20 0.38

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
SCHEMBL68139 0.83 SYK (0.47) SYKCYP4F2CYP4A11CYP4Z1HRH3
SCHEMBL2083064 0.79 CYP4F2 (0.54) SYKCYP4F2CYP4A11CYP4Z1HRH3
SCHEMBL20642216 0.79 CYP4F2 (0.68) SYKCYP4F2CYP4A11CYP4Z1HRH3
SCHEMBL67896 0.76 SYK (0.48) SYKCYP4F2CYP4A11CYP4Z1PDE3B
SCHEMBL30967793 0.74 CYP4F2 (0.53) SYKCYP4F2CYP4A11CYP4Z1PDE3B
SCHEMBL68902 0.74 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1HRH3PDE3B
SCHEMBL1842583 0.74 CYP4F2 (0.56) SYKCYP4F2CYP4A11CYP4Z1HRH3
SCHEMBL7039459 0.72 CYP4F2 (0.50) SYKCYP4F2CYP4A11CYP4Z1HRH3
SCHEMBL23512483 0.72 CYP4F2 (0.70) SYKCYP4F2CYP4A11CYP4Z1HRH3
SCHEMBL11894639 0.72 CYP4F2 (0.70) SYKCYP4F2CYP4A11CYP4Z1HRH3

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
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
CN-101103012-A Compounds modulating PPAR gamma type receptors and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2008-01-09 CN 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 SYK 4588/4885CYP4F2 457/4885CYP4A11 233/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA SYK 4191/4885CYP4F2 427/4885CYP4A11 257/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA SYK 4191/4885CYP4F2 427/4885CYP4A11 257/4885

“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.