SCHEMBL4181399

SCHEMBL4181399

COc1ccc(/C(C)=C/C(=O)O)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
CYP1A2 P05177 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP2D6 P10635 2/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 2/20 0.49
PKM P14618 2/20 0.49
KMT2A Q03164 4/20 0.48
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
MAPT P10636 5/20 0.47
CTSL P07711 1/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL4181406 1.00 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL4181403 1.00 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL16294733 0.88 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL141594 0.85 CA12 (0.62) ALDH1A1CYP1A2CYP2C19HPGDGAA
SCHEMBL141595 0.85 CA12 (0.62) ALDH1A1CYP1A2CYP2C19HPGDGAA
SCHEMBL141596 0.85 CA12 (0.62) ALDH1A1CYP1A2CYP2C19HPGDGAA
Hydrochloric Acid SCHEMBL6782887 0.84 CA12 (0.61) ALDH1A1CYP1A2CYP2C19HPGDGAA
SCHEMBL6933184 0.81 HTT (0.66) ALDH1A1CYP1A2CYP2C19HTTKMT2A
Hydrochloric Acid SCHEMBL6784223 0.80 NR4A1 (0.49) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL36091 0.80 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD

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-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
EP-1817297-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Inc. (US) 2007-08-15 EP disclosed
WO-2006056854-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-06-01 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-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES APOB, LDLR, CETP ALDH1A1 1853/4885CYP1A2 548/4885CYP2C19 669/4885

“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.