SCHEMBL9949457

SCHEMBL9949457

CCCC1CCCCC1Cc1cccc(C2OCCO2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL9949947 0.90 DRD2 (0.39) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL9950310 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL9949965 0.84 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL9950480 0.83 CA1 (0.35) ALDH1A1SMN1; SMN2HTTCA1CA2
SCHEMBL9949797 0.82 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL9949723 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL9951498 0.80 CHRNA7 (0.37) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL9949859 0.77 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL9949826 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL9950932 0.76 DRD2 (0.38) ALDH1A1SMN1; SMN2HTTDRD2DRD3

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

“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.