SCHEMBL4899711

SCHEMBL4899711

COc1c(Cl)cc(/C=C(/C(C)=O)C(=O)NCCCc2ccccc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
KDR P35968 1/20 0.44
HTT P42858 1/20 0.44
JAK2 O60674 1/20 0.42
GMNN O75496 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 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
SCHEMBL4504871 1.00 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4503995 0.88 APOBEC3A (0.54) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4512306 0.88 APOBEC3A (0.54) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4491589 0.86 LMNA (0.49) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4889438 0.86 LMNA (0.49) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4504434 0.85 LMNA (0.48) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4504437 0.85 LMNA (0.48) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4899806 0.83 EGFR (0.50) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4488945 0.83 EGFR (0.50) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4900512 0.82 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2263/4885KDM4E 3546/4885LMNA 3830/4885

“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.