SCHEMBL6414684

SCHEMBL6414684

COc1ccc(COCC2CC2C(=O)OC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.44
EPHX2 P34913 1/20 0.43
FFAR4 Q5NUL3 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6408765 0.87 FABP7 (0.45) FFAR4CHRM2CHRM1CHRM3CHRM4
SCHEMBL6406983 0.85 EPHX1 (0.47) FFAR4CHRM2CHRM1CHRM3CHRM4
SCHEMBL6406569 0.84 HTT (0.49) EPHX2FFAR4NPC1RAB9ASMN1; SMN2
SCHEMBL6409649 0.81 CA1 (0.54) FFAR4HPGDALDH1A1HTT
SCHEMBL22340184 0.81 CA1 (0.54) FFAR4HPGDALDH1A1HTT
SCHEMBL6411945 0.81 CACNA1B (0.43) CACNA1BEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL6406894 0.81 CACNA1B (0.43) CACNA1BEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2186749 0.80 FFAR4 (0.47) FFAR4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2186744 0.80 FFAR4 (0.47) FFAR4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6408927 0.80 FFAR4 (0.58) FFAR4NPC1RAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids SUMITOMO CHEMICAL COMPAY LIMTED (JP) 2005-12-29 US disclosed
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 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-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids GRHPR, PCCA, C5 CACNA1B 3653/4885EPHX2 729/4885FFAR4 2429/4885

“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.