SCHEMBL86818

SCHEMBL86818

CNc1cccc(-c2cnc(CCC(=O)OC)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
EGLN1 Q9GZT9 5/20 0.41
CDK8 P49336 3/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
VEGFA P15692 2/20 0.38
FLT1 P17948 2/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
NTRK1 P04629 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
VDR P11473 1/20 0.38
PPARD Q03181 1/20 0.38
SYK P43405 2/20 0.38
FYN P06241 1/20 0.38
CCNC P24863 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL69115 0.87 FFAR1 (0.43) NTRK1SYKMAP4K4
SCHEMBL66820 0.82 EGLN1 (0.40) CYP4F2CYP4A11EGLN1CDK8VEGFA
SCHEMBL2086697 0.80 CYP17A1 (0.46) SIRT2VDRPPARDSYK
SCHEMBL2083341 0.72 PTPN1 (0.48) SIRT2VDRPPARDSYK
SCHEMBL68281 0.72 KMT2A (0.42) CYP4F2CYP4A11CDK8NTRK1SIRT2
SCHEMBL68282 0.72 KMT2A (0.42) CYP4F2CYP4A11CDK8NTRK1SIRT2
SCHEMBL2085684 0.72 PTPN1 (0.47) SIRT2VDRPPARD
SCHEMBL19782742 0.70 TSHR (0.41) MAPT
SCHEMBL2085769 0.69 PTPN1 (0.43) SIRT2VDRPPARDSYK
SCHEMBL2083064 0.69 CYP4F2 (0.54) CYP4F2CYP4A11SYK

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 6 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

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 CYP4F2 457/4885CYP4A11 233/4885EGLN1 2581/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA CYP4F2 427/4885CYP4A11 257/4885EGLN1 2439/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA CYP4F2 427/4885CYP4A11 257/4885EGLN1 2439/4885

“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.