SCHEMBL3237448

SCHEMBL3237448

C/C(=C/C(=O)c1ccc(Br)cc1)N(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
RAB9A P51151 5/20 0.56
LMNA P02545 3/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 11/20 0.54
MAPT P10636 6/20 0.54
USP2 O75604 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 3/20 0.47
HTT P42858 2/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1B1 Q16678 1/20 0.42
MAPK1 P28482 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
SCHEMBL3237451 1.00 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19RAB9ALMNA
SCHEMBL14069230 0.83 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19RAB9ALMNA
SCHEMBL15778440 0.83 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19RAB9ALMNA
SCHEMBL15778438 0.83 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19RAB9ALMNA
SCHEMBL10556110 0.81 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19RAB9ALMNA
SCHEMBL10669279 0.81 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19RAB9AALDH1A1
SCHEMBL10556115 0.81 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19RAB9ALMNA
SCHEMBL10669285 0.81 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19RAB9AALDH1A1
SCHEMBL15868826 0.81 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19RAB9ARECQL
SCHEMBL9869964 0.81 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19RAB9ARECQL

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-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US 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-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PPARA, PPARG, PPARD CYP1A2 1298/4885CYP3A4 1257/4885CYP2C19 1692/4885

“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.