SCHEMBL9949704

SCHEMBL9949704

O=Cc1cccc(CCC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.41
OPRM1 P35372 9/20 0.40
OPRD1 P41143 9/20 0.40
OPRK1 P41145 9/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
EPHX2 P34913 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37
CEL P19835 1/20 0.37

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
SCHEMBL2199105 0.91 SIGMAR1 (0.43) OPRM1OPRD1OPRK1SIGMAR1MAOA
SCHEMBL9949875 0.85 DRD2 (0.38) MAOAMAOB
SCHEMBL9949810 0.85 MAOB (0.37) MAOAMAOB
SCHEMBL9949517 0.85 DRD2 (0.40) MAOAMAOB
SCHEMBL15174158 0.84 OPRM1 (0.40) DAOOPRM1OPRD1OPRK1SIGMAR1
SCHEMBL9950063 0.84 DRD2 (0.41) OPRM1OPRD1OPRK1MAOAMAOB
SCHEMBL9950080 0.84 DRD2 (0.36) OPRM1OPRD1OPRK1MAOAMAOB
SCHEMBL9950808 0.84 DRD2 (0.38) OPRM1OPRD1OPRK1MAOAMAOB
SCHEMBL9950489 0.84 MAOA (0.41) OPRM1OPRD1OPRK1MAOAMAOB
SCHEMBL15314412 0.82 CARM1 (0.43) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748078-B2 Cyclic compound, process for preparation thereof, radiation-sensitive composition, and method for formation of resist pattern MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
EP-2476662-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN Mitsubishi Gas Chemical Company, Inc. (JP) 2012-07-18 EP disclosed
US-20120164576-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-06-28 US 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-20120164576-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN RAD1, RER1, REV1 DAO 4770/4885OPRM1 2507/4885OPRD1 3016/4885

“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.