SCHEMBL9950577

SCHEMBL9950577

CCCC1CCCC(CCc2cccc(C3OCCO3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPHK2 Q9NRA0 3/20 0.33
SPHK1 Q9NYA1 2/20 0.33
KIF11 P52732 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 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
SCHEMBL9950435 0.93 ALDH1A1 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9951498 0.90 CHRNA7 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9950932 0.90 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9949969 0.88 ALDH1A1 (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9949878 0.84 MAOA (0.35) CHRNA7SMN1; SMN2SPHK1
SCHEMBL9951096 0.84 OPRM1 (0.39) ALDH1A1HTTSMN1; SMN2SPHK2OPRM1
SCHEMBL9949947 0.82 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9949911 0.82 ALDH1A1 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9949579 0.80 ALDH1A1 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9949723 0.79 ALDH1A1 (0.36) DRD2DRD1DRD4DRD5DRD3

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 DRD2 2661/4885DRD1 1092/4885DRD4 3195/4885

“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.