SCHEMBL4506546

SCHEMBL4506546

COCC(=O)C(=Cc1cccc(Cl)c1)C(=O)OCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.43
AKR1B1 P15121 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.41
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37

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 0.87 AKR1B10 (0.46) AKR1B10AKR1B1KMT2AMEN1SMN1; SMN2
SCHEMBL4901514 0.87 AKR1B10 (0.46) AKR1B10AKR1B1KMT2AMEN1SMN1; SMN2
SCHEMBL11739241 0.82 PTGS2 (0.54) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL4776457 0.81 CYP1A2 (0.45) SMN1; SMN2HPGDMAPTCYP1A2CYP2C19
SCHEMBL4776452 0.81 CYP1A2 (0.45) SMN1; SMN2HPGDMAPTCYP1A2CYP2C19
SCHEMBL6931128 0.76 HCAR2 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6931126 0.76 HCAR2 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7658964 0.76 NR1H4 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7658967 0.76 NR1H4 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6345435 0.73 GLO1 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD

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 5 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
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 US disclosed
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 EP 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 (2 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
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E AKR1B10 1799/4885AKR1B1 1483/4885KMT2A 3758/4885

“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.