SCHEMBL68525

SCHEMBL68525

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTPRC P08575 2/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
FFAR1 O14842 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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 0.83 RXRA (0.40) PTGER1PTGER4PTGER3PTGER2S1PR1
SCHEMBL1400847 0.83 PTGER1 (0.34) PTGER1PTGER4PTGER3PTGER2S1PR1
SCHEMBL3699476 0.82 AKR1C3 (0.43) ALDH1A1KDM4E
SCHEMBL3699477 0.82 AKR1C3 (0.43) ALDH1A1KDM4E
SCHEMBL68767 0.80 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL68768 0.80 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL68524 0.80 HDAC1 (0.35) TRPV1
SCHEMBL68766 0.79 FDPS (0.42) ALDH1A1KDM4E
SCHEMBL67387 0.67 HDAC1 (0.39) ALDH1A1FFAR1
SCHEMBL67071 0.65 RXRA (0.42) S1PR1S1PR3S1PR5TRPV1

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 PTGER1 124/4885PTGER4 237/4885PTGER3 295/4885

“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.