SCHEMBL5123616

SCHEMBL5123616

CCCCCN1C(=O)C(=O)c2cc(SCCc3ccc(C(=O)OCC)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 3/20 0.44
ALDH1A1 P00352 8/20 0.42
ALDH2 P05091 4/20 0.42
ALDH3A1 P30838 4/20 0.42
CES1 P23141 2/20 0.42
CDC25A P30304 1/20 0.42
MAPT P10636 5/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL5124521 0.99 PARK7 (0.44) PARK7ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL5110531 0.95 ALDH1A1 (0.42) PARK7ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL5117734 0.95 CES1 (0.43) PARK7ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL5111486 0.91 PARK7 (0.44) PARK7ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL5118420 0.90 PARK7 (0.43) PARK7ALDH1A1MAPTTP53KMT2A
SCHEMBL5119292 0.89 PARK7 (0.46) PARK7ALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL5113902 0.89 PARK7 (0.55) PARK7ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL5117208 0.88 PARK7 (0.54) PARK7ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL5124615 0.86 CASP3 (0.48) PARK7ALDH1A1MAPTKMT2AMEN1
SCHEMBL5118596 0.86 LMNA (0.51) PARK7ALDH1A1ALDH2ALDH3A1CES1

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 PARK7 2430/4885ALDH1A1 420/4885ALDH2 227/4885

“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.