SCHEMBL9951096

SCHEMBL9951096

c1cc(CCC2CCCCC2)cc(C2OCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.39
OPRD1 P41143 8/20 0.39
OPRK1 P41145 8/20 0.39
SPHK2 Q9NRA0 1/20 0.38
DAO P14920 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CEL P19835 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL9950932 0.86 DRD2 (0.38) SPHK2MAOAMAOBALDH1A1HTT
SCHEMBL9949911 0.86 ALDH1A1 (0.36) SPHK2MAOAMAOBALDH1A1HTT
SCHEMBL9951055 0.86 MAOB (0.34) MAOAMAOBALDH1A1HTTSMN1; SMN2
SCHEMBL9949859 0.85 SMN1; SMN2 (0.36) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL9949969 0.84 ALDH1A1 (0.34) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL9950577 0.84 DRD2 (0.38) OPRM1OPRD1OPRK1SPHK2ALDH1A1
SCHEMBL9950435 0.84 ALDH1A1 (0.36) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL9950477 0.81 CEL (0.39) DAOMAOAMAOBCEL
SCHEMBL9949826 0.81 ALDH1A1 (0.35) ALDH1A1HTTSMN1; SMN2
SCHEMBL9949947 0.81 DRD2 (0.39) SPHK2ALDH1A1HTTSMN1; SMN2

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 OPRM1 2507/4885OPRD1 3016/4885OPRK1 3303/4885

“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.