SCHEMBL5855587

SCHEMBL5855587

CC(=O)CC(=O)OC/C(C)=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46
AKR1C3 P42330 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CACNA1B Q00975 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL5855592 1.00 MEN1 (0.46) MEN1KMT2ARECQLAKR1C3KDM4E
SCHEMBL22693249 0.85 MEN1 (0.51) MEN1KMT2ARECQLAKR1C3KDM4E
SCHEMBL5454170 0.83 MEN1 (0.51) MEN1KMT2ARECQLAKR1C3KDM4E
SCHEMBL5454169 0.83 MEN1 (0.51) MEN1KMT2ARECQLAKR1C3KDM4E
SCHEMBL28568575 0.81 RECQL (0.56) MEN1KMT2ARECQLAKR1C3KDM4E
SCHEMBL27713581 0.77 MEN1 (0.50) MEN1KMT2ARECQLAKR1C3KDM4E
SCHEMBL11865044 0.76 RECQL (0.51) MEN1KMT2ARECQLAKR1C3KDM4E
Benzaldehyde SCHEMBL28696102 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL22068057 0.75 HDAC3 (0.46) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL31468786 0.75 NPC1 (0.54) MEN1KMT2AKDM4EALDH1A1TSHR

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 MEN1 2700/4885KMT2A 3658/4885RECQL 2153/4885

“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.