SCHEMBL2914248

SCHEMBL2914248

O=C(O)CCC(NC/C=C/c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
PAM P19021 1/20 0.49
NAALAD2 Q9Y3Q0 3/20 0.48
GGH Q92820 1/20 0.48
S1PR1 P21453 3/20 0.46
S1PR3 Q99500 2/20 0.46
PIN1 Q13526 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ADAMTS4 O75173 1/20 0.46
EPOR P19235 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FOLH1 Q04609 2/20 0.43
CNR2 P34972 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL2914250 1.00 GAA (0.50) GAAPAMNAALAD2GGHS1PR1
SCHEMBL30819187 0.84 ALDH1A1 (0.44) GAAMMP9EPORALDH1A1FOLH1
SCHEMBL29280381 0.84 ALDH1A1 (0.44) GAAMMP9EPORALDH1A1FOLH1
SCHEMBL11865250 0.81 PIN1 (0.48) GAAPAMS1PR1S1PR3PIN1
SCHEMBL18668641 0.81 MMP2 (0.49) GAAPAMPIN1MMP9MAOB
SCHEMBL29661948 0.80 PPARG (0.51) PAMPIN1MAOBCNR2PPARA
SCHEMBL5051307 0.78 GGH (0.58) GAAPAMNAALAD2GGHPIN1
SCHEMBL31611811 0.78 NOS2 (0.54) GAANAALAD2PIN1ALDH1A1FOLH1
SCHEMBL20991346 0.78 NOS2 (0.54) GAANAALAD2PIN1ALDH1A1FOLH1
SCHEMBL7427930 0.78 S1PR1 (0.64) GAAPAMS1PR1S1PR3MAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699873-B1 COSMETIC APPLICATION OF ROD-COIL POLYMERS OREAL (FR) 2010-08-11 EP claimed
US-20070098664-A1 Cosmetic application of rod-coil copolymers L'OREAL (FR) 2007-05-03 US claimed
EP-1699873-A1 COSMETIC APPLICATION OF ROD-COIL POLYMERS L'OREAL (FR) 2006-09-13 EP claimed
WO-2005059032-A1 COSMETIC APPLICATION OF ROD-COIL POLYMERS L'OREAL (FR) 2005-06-30 WO claimed
EP-1699873-B1 COSMETIC APPLICATION OF ROD-COIL POLYMERS OREAL (FR) 2010-08-11 EP disclosed
US-20070098664-A1 Cosmetic application of rod-coil copolymers L'OREAL (FR) 2007-05-03 US disclosed
EP-1699873-A1 COSMETIC APPLICATION OF ROD-COIL POLYMERS L'OREAL (FR) 2006-09-13 EP disclosed
WO-2005059032-A1 COSMETIC APPLICATION OF ROD-COIL POLYMERS L'OREAL (FR) 2005-06-30 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-20070098664-A1 Cosmetic application of rod-coil copolymers COIL, CRYAB, CRYZ GAA 1514/4885PAM 3277/4885NAALAD2 2058/4885

“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.