SCHEMBL4512306

SCHEMBL4512306

COc1ccc(/C=C(/C(C)=O)C(=O)NCCCc2ccccc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MTNR1B P49286 2/20 0.47
MTNR1A P48039 1/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
JAK2 O60674 1/20 0.45
GMNN O75496 1/20 0.45

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
SCHEMBL4503995 1.00 APOBEC3A (0.54) APOBEC3AAPOBEC3GALDH1A1KDM4EPLAAT3
SCHEMBL4894679 0.89 APOBEC3A (0.55) APOBEC3AAPOBEC3GALDH1A1KDM4EPLAAT3
SCHEMBL4504502 0.89 APOBEC3A (0.55) APOBEC3AAPOBEC3GALDH1A1KDM4EPLAAT3
SCHEMBL4491589 0.88 LMNA (0.49) APOBEC3AAPOBEC3GALDH1A1KDM4EPLAAT3
SCHEMBL4889438 0.88 LMNA (0.49) APOBEC3AAPOBEC3GALDH1A1KDM4EPLAAT3
SCHEMBL4504871 0.88 ALDH1A1 (0.45) APOBEC3AAPOBEC3GALDH1A1KDM4EPLAAT3
SCHEMBL4899711 0.88 ALDH1A1 (0.45) APOBEC3AAPOBEC3GALDH1A1KDM4EPLAAT3
SCHEMBL4899806 0.85 EGFR (0.50) ALDH1A1KDM4EPLAAT3PLAAT5PLAAT2
SCHEMBL4488945 0.85 EGFR (0.50) ALDH1A1KDM4EPLAAT3PLAAT5PLAAT2
SCHEMBL4493878 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EPLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E APOBEC3A 3217/4885APOBEC3G 3695/4885ALDH1A1 2263/4885

“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.