SCHEMBL5856574

SCHEMBL5856574

CC(=O)CC(=O)OCC=Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
CYP1A2 P05177 2/20 0.46
CACNA1B Q00975 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5856571 1.00 PTGS2 (0.48) PTGS2CYP1A2CACNA1BNOS3NOS1
SCHEMBL5854917 0.86 CYP4F2 (0.42) CACNA1BLMNAMAPTNPC1ALDH1A1
SCHEMBL5854923 0.86 CYP4F2 (0.42) CACNA1BLMNAMAPTNPC1ALDH1A1
SCHEMBL5799253 0.84 MMP1 (0.49) CYP1A2CACNA1BLMNAMAPTNPC1
SCHEMBL28158105 0.84 MMP1 (0.49) CYP1A2CACNA1BLMNAMAPTNPC1
SCHEMBL5799249 0.84 MMP1 (0.49) CYP1A2CACNA1BLMNAMAPTNPC1
SCHEMBL5855628 0.84 PYGL (0.47) PTGS2NOS3NOS1NOS2GRIK1
SCHEMBL5855625 0.84 PYGL (0.47) PTGS2NOS3NOS1NOS2GRIK1
SCHEMBL5756310 0.84 CYP1A2 (0.47) PTGS2CYP1A2CACNA1BNOS3NOS1
SCHEMBL5756315 0.84 CYP1A2 (0.47) PTGS2CYP1A2CACNA1BNOS3NOS1

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 PTGS2 225/4885CYP1A2 3564/4885CACNA1B 1/4885

“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.