SCHEMBL5114613

SCHEMBL5114613

CCCN1C(=O)C(=O)c2cc(I)ccc21

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.63
PARK7 Q99497 2/20 0.50
CTRC Q99895 1/20 0.50
ALDH1A1 P00352 3/20 0.49
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
CES1 P23141 4/20 0.48
CDC25A P30304 1/20 0.48
BCHE P06276 1/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RCE1 Q9Y256 1/20 0.46

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
SCHEMBL3027498 0.89 ALDH1A1 (0.64) CASP3PARK7CTRCALDH1A1ALDH2
SCHEMBL5124354 0.88 CES1 (0.65) CASP3CTRCALDH1A1ALDH2ALDH3A1
SCHEMBL5119168 0.88 CES1 (0.65) CASP3CTRCALDH1A1ALDH2ALDH3A1
SCHEMBL13546141 0.82 ALDH1A1 (0.65) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL16048101 0.81 ALDH3A1 (0.65) PARK7ALDH1A1ALDH2ALDH3A1
SCHEMBL3648722 0.81 PARK7 (0.50) CASP3PARK7ALDH1A1ALDH2ALDH3A1
SCHEMBL21001752 0.81 ALDH1A1 (0.65) PARK7ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL18955128 0.80 ALDH1A1 (0.58) CASP3PARK7CTRCALDH1A1MEN1
SCHEMBL18954622 0.78 PARK7 (0.48) CASP3PARK7ALDH1A1ALDH2ALDH3A1
SCHEMBL17274922 0.78 PARK7 (0.69) CASP3PARK7ALDH1A1MEN1POLB

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 CASP3 2895/4885PARK7 2430/4885CTRC 4655/4885

“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.