SCHEMBL9949947

SCHEMBL9949947

CCCC1CCCCC1CCc1cccc(C2OCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
SPHK2 Q9NRA0 3/20 0.34
SPHK1 Q9NYA1 2/20 0.34
KIF11 P52732 1/20 0.34
CTSK P43235 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL9949797 0.92 ALDH1A1 (0.37) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9949457 0.90 ALDH1A1 (0.37) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9949826 0.87 ALDH1A1 (0.35) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9950932 0.84 DRD2 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9950609 0.83 CA1 (0.35) SMN1; SMN2ADRA2AADRA2BADRA2CSPHK2
SCHEMBL9950577 0.82 DRD2 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9951096 0.81 OPRM1 (0.39) ALDH1A1HTTSMN1; SMN2SPHK2
SCHEMBL9950310 0.78 ALDH1A1 (0.39) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9949911 0.78 ALDH1A1 (0.36) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9950435 0.77 ALDH1A1 (0.36) DRD2DRD3DRD1DRD4DRD5

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 2661/4885DRD3 2822/4885DRD1 1092/4885

“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.