SCHEMBL4289141

SCHEMBL4289141

COc1ccc(CCCCOc2ccc(CNC3CCC(C(=O)O)(C(=O)O)C3)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
PPARD Q03181 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PPARG P37231 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SSTR3 P32745 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PDE4B Q07343 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL13659717 0.92 PPARA (0.40) PPARAPPARDPPARGALDH1A1MEN1
Hydrochloric Acid SCHEMBL4296373 0.91 PPARA (0.40) PPARAPPARDPPARGALDH1A1MAPT
SCHEMBL4287080 0.91 PPARA (0.40) PPARAPPARDPPARGALDH1A1MEN1
SCHEMBL4634069 0.88 KDM1A (0.38) PPARAPPARDKDM1AMAOAMAOB
SCHEMBL4294179 0.87 NAAA (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL13659714 0.87 HRH3 (0.34) PPARAPPARDALDH1A1SSTR3MEN1
SCHEMBL13659713 0.82 FFAR1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5795188 0.81 S1PR1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4294265 0.81 S1PR2 (0.49) PPARAPPARGNPC1RAB9AMAPT
SCHEMBL4287826 0.81 S1PR2 (0.49) PPARAPPARGNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP claimed
EP-1650186-A1 Novel dicarboxylic acid derivatives BIOPROJET (FR) 2006-04-26 EP claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP disclosed
EP-1650186-A1 Novel dicarboxylic acid derivatives BIOPROJET (FR) 2006-04-26 EP 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 PPARA 357/4885PPARD 189/4885KDM1A 1990/4885

“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.