SCHEMBL9950435

SCHEMBL9950435

CCC1CCCC(CCc2cccc(C3OCCO3)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33

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
SCHEMBL9950577 0.93 DRD2 (0.38) ALDH1A1HTTSMN1; SMN2DRD2DRD1
SCHEMBL9949969 0.88 ALDH1A1 (0.34) ALDH1A1HTTSMN1; SMN2DRD2DRD1
SCHEMBL9949579 0.87 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2DRD2DRD1
SCHEMBL9949911 0.87 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2DRD2DRD1
SCHEMBL9949861 0.84 ALOX5 (0.33)
SCHEMBL9951096 0.84 OPRM1 (0.39) ALDH1A1HTTSMN1; SMN2OPRM1OPRD1
SCHEMBL9951498 0.82 CHRNA7 (0.37) ALDH1A1HTTSMN1; SMN2DRD2DRD1
SCHEMBL9950932 0.82 DRD2 (0.38) ALDH1A1HTTSMN1; SMN2DRD2DRD1
SCHEMBL16191211 0.80 OPRM1 (0.38) SMN1; SMN2DRD2DRD3OPRM1OPRD1
SCHEMBL9949797 0.80 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2DRD2DRD1

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 ALDH1A1 1204/4885HTT 4828/4885SMN1; SMN2 1855/4885

“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.