SCHEMBL68526

SCHEMBL68526

CCCCOc1cc(CC(C)C(=O)O)ccc1-c1csc(CNCC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
REN P00797 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTPN1 P18031 2/20 0.34
PPARD Q03181 9/20 0.34
PPARA Q07869 9/20 0.34
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3698882 0.87 RXRA (0.40) PPARGPTGER1PTGER4PTGER3PTGER2
SCHEMBL68524 0.85 HDAC1 (0.35) ALOX5PTPN1SMN1; SMN2
SCHEMBL68525 0.84 PTGER1 (0.33) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL1400849 0.83 PPARG (0.37) PPARGPTGESALOX5RENPTGER1
SCHEMBL3699476 0.82 AKR1C3 (0.43) ALOX15KDM4EALDH1A1SMN1; SMN2
SCHEMBL3699477 0.82 AKR1C3 (0.43) ALOX15KDM4EALDH1A1SMN1; SMN2
SCHEMBL68767 0.80 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2
SCHEMBL68768 0.80 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2
SCHEMBL68766 0.79 FDPS (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL66969 0.70 HDAC1 (0.39) ALOX5PTPN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PPARG 1/4885PTGES 278/4885ALOX5 403/4885

“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.