SCHEMBL5114130

SCHEMBL5114130

COC(=O)c1ccc(CCSc2ccc3c(c2)C(OC)(OC)C(=O)N3CCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 4/20 0.39
PARK7 Q99497 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5118444 0.90 TP53 (0.42) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL5125044 0.88 TP53 (0.40) TP53MAPT
SCHEMBL5219112 0.85 TP53 (0.39) TP53MAPTSMN1; SMN2ALDH1A1PARK7
SCHEMBL5114573 0.85 LMNA (0.42) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5117738 0.84 TP53 (0.37) TP53MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL5216357 0.83 TP53 (0.41) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL5126197 0.82 TP53 (0.39) TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL5256018 0.82 RARB (0.39) TP53MAPTALDH1A1TSHRMEN1
SCHEMBL5111306 0.81 TP53 (0.39) TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL5118191 0.81 TP53 (0.39) TP53MAPTSMN1; SMN2ALDH1A1

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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP disclosed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 WO 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA TP53 482/4885MAPT 3986/4885SMN1; SMN2 4795/4885

“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.