SCHEMBL4901514

SCHEMBL4901514

CC(=O)/C(=C/c1cccc(Cl)c1)C(=O)OCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSP90AA1 P07900 2/20 0.45
GLO1 Q04760 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL4517403 1.00 AKR1B10 (0.46) AKR1B10AKR1B1KMT2AMAPTLMNA
SCHEMBL4506546 0.87 AKR1B10 (0.43) AKR1B10AKR1B1KMT2AMAPTLMNA
SCHEMBL6345437 0.86 GLO1 (0.48) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL6345435 0.86 GLO1 (0.48) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL2424030 0.80 GLO1 (0.65) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL2424031 0.80 GLO1 (0.65) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL15026370 0.80 GLO1 (0.65) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL4512772 0.80 ALDH1A1 (0.53) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL4900705 0.80 ALDH1A1 (0.53) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL5399119 0.79 GLO1 (0.46) KMT2AMAPTLMNAKDM4EHSP90AA1

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 AKR1B10 1981/4885AKR1B1 2103/4885KMT2A 4314/4885

“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.