SCHEMBL5854633

SCHEMBL5854633

CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C(C(=O)OC/C=C/c2ccccc2)=C(C)N1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.72
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
HIF1A Q16665 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL5854638 1.00 CACNA1B (0.72) CACNA1BKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5855265 0.89 CACNA1B (0.57) CACNA1BKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5855267 0.89 CACNA1B (0.57) CACNA1BKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5855162 0.86 CACNA1B (0.79) CACNA1B
SCHEMBL5855158 0.86 CACNA1B (0.79) CACNA1B
SCHEMBL5854929 0.84 CACNA1B (1.00) CACNA1B
SCHEMBL7265394 0.84 CYP2C9 (0.82) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5854934 0.84 CACNA1B (1.00) CACNA1B
SCHEMBL5855595 0.83 CACNA1B (0.85) CACNA1B
SCHEMBL5855599 0.83 CACNA1B (0.85) CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995179-B2 Dihydropyridine derivative AJINOMOTO CO., INC. (JP) 2006-02-07 US disclosed
US-20020111494-A1 Novel dihydropyridine derivative AJINOMOTO CO., INC. (JP) 2002-08-15 US disclosed
US-6350766-B1 PAIN, CNS AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
EP-0985667-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-03-15 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 (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-20020111494-A1 Novel dihydropyridine derivative CACNA1B, CACNA1D, CACNA1S CACNA1B 1/4885KDM4E 3952/4885MEN1 2700/4885

“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.