SCHEMBL68767

SCHEMBL68767

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C3 P42330 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL68768 1.00 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2AKR1C3MEN1
SCHEMBL3699476 0.88 AKR1C3 (0.43) KDM4EALDH1A1SMN1; SMN2AKR1C3MEN1
SCHEMBL3699477 0.88 AKR1C3 (0.43) KDM4EALDH1A1SMN1; SMN2AKR1C3MEN1
SCHEMBL68766 0.86 FDPS (0.42) KDM4EALDH1A1SMN1; SMN2AKR1C3GAA
SCHEMBL4361050 0.84 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2AKR1C3
SCHEMBL4361055 0.84 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2AKR1C3
SCHEMBL1400796 0.83 PDK2 (0.32) KDM4EAKR1C3
SCHEMBL1400797 0.83 PDK2 (0.32) KDM4EAKR1C3
SCHEMBL3698882 0.82 RXRA (0.40) AKR1C3
SCHEMBL68525 0.80 PTGER1 (0.33) KDM4EALDH1A1

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 KDM4E 4032/4885ALDH1A1 624/4885SMN1; SMN2 4797/4885

“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.