SCHEMBL5854844

SCHEMBL5854844

COc1cccc(/C=C/COC(=O)CC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.51
JUN P05412 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
MAOB P27338 2/20 0.48
BCHE P06276 1/20 0.48
RELA Q04206 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2D6 P10635 2/20 0.45
MAOA P21397 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5854849 1.00 FOS (0.51) FOSJUNCHRM2CHRM1CHRM3
SCHEMBL3585478 0.86 CHRM2 (0.55) FOSJUNCHRM2CHRM1CHRM3
SCHEMBL3585476 0.86 CHRM2 (0.55) FOSJUNCHRM2CHRM1CHRM3
SCHEMBL28706860 0.85 GRIK1 (0.54) FOSJUNCHRM2CHRM1CHRM3
SCHEMBL5855347 0.83 GSK3B (0.54) GRIK1GRIK2NPC1RAB9ACYP1A2
SCHEMBL5855344 0.83 GSK3B (0.54) GRIK1GRIK2NPC1RAB9ACYP1A2
SCHEMBL5799253 0.82 MMP1 (0.49) MAOBNPC1RAB9ACYP2D6CYP1A2
SCHEMBL28158105 0.82 MMP1 (0.49) MAOBNPC1RAB9ACYP2D6CYP1A2
SCHEMBL5799249 0.82 MMP1 (0.49) MAOBNPC1RAB9ACYP2D6CYP1A2
SCHEMBL5854903 0.80 NFE2L2 (0.57) JUNGRIK1GRIK2CYP1A1ABCG2

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 FOS 1502/4885JUN 3236/4885CHRM2 658/4885

“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.