SCHEMBL4218082

SCHEMBL4218082

CCO/C(=C\c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
LMNA P02545 5/20 0.64
MAPT P10636 5/20 0.64
MEN1 O00255 4/20 0.64
NPSR1 Q6W5P4 3/20 0.64
MAPK1 P28482 2/20 0.64
S1PR4 O95977 1/20 0.64
S1PR1 P21453 1/20 0.64
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.46
AKR1C3 P42330 1/20 0.46
CES2 O00748 1/20 0.44
ACHE P22303 1/20 0.44
CES1 P23141 1/20 0.44
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL4218087 1.00 KMT2A (0.64) KMT2ALMNAMAPTMEN1NPSR1
SCHEMBL4217428 0.87 KMT2A (0.73) KMT2ALMNAMAPTMEN1NPSR1
SCHEMBL4217424 0.87 KMT2A (0.73) KMT2ALMNAMAPTMEN1NPSR1
SCHEMBL14332129 0.85 CA12 (0.54) KMT2ALMNAMAPTMEN1NPSR1
SCHEMBL14332131 0.85 CA12 (0.54) KMT2ALMNAMAPTMEN1NPSR1
SCHEMBL2229690 0.84 MEN1 (0.66) KMT2ALMNAMAPTMEN1NPSR1
SCHEMBL13916943 0.82 AKR1C3 (0.49) KMT2AMAPTMEN1CYP1A2ALDH1A1
SCHEMBL6056037 0.82 AKR1C3 (0.49) KMT2AMAPTMEN1CYP1A2ALDH1A1
SCHEMBL6056036 0.82 AKR1C3 (0.49) KMT2AMAPTMEN1CYP1A2ALDH1A1
SCHEMBL4216117 0.81 MEN1 (0.47) KMT2ALMNAMAPTMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 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-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA KMT2A 2532/4885LMNA 3394/4885MAPT 3614/4885

“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.