SCHEMBL68766

SCHEMBL68766

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.42
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ESR1 P03372 1/20 0.37
EPHX2 P34913 1/20 0.36
APP P05067 1/20 0.36
AKR1C3 P42330 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
JAK2 O60674 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
TOP2A P11388 2/20 0.34
CNR2 P34972 2/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34

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
SCHEMBL3699477 0.92 AKR1C3 (0.43) ALDH1A1THRBHPGDAKR1C3KDM4E
SCHEMBL3699476 0.92 AKR1C3 (0.43) ALDH1A1THRBHPGDAKR1C3KDM4E
SCHEMBL68767 0.86 KDM4E (0.34) ALDH1A1AKR1C3KDM4EGAASMN1; SMN2
SCHEMBL68768 0.86 KDM4E (0.34) ALDH1A1AKR1C3KDM4EGAASMN1; SMN2
SCHEMBL68524 0.82 HDAC1 (0.35) AKR1C3SMN1; SMN2
SCHEMBL3698882 0.81 RXRA (0.40) THRBAKR1C3
SCHEMBL68525 0.79 PTGER1 (0.33) ALDH1A1KDM4E
SCHEMBL68526 0.79 PPARG (0.36) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5198621 0.75 KDM4E (0.43) ALDH1A1HPGDAKR1C3KDM4EGAA
SCHEMBL69839 0.71 AKR1C3 (0.43) ALDH1A1THRBHPGDAPPAKR1C3

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 FDPS 2904/4885ALDH1A1 624/4885THRB 391/4885

“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.