SCHEMBL13196552

SCHEMBL13196552

[C-]#[N+]C(C)(c1ccccc1)c1ccc(C(C)(C#N)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.43
CYP2D6 P10635 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL1021158 0.82 GRM1 (0.49) GRM1CYP2D6DRD2DRD4OPRM1
SCHEMBL2817460 0.76 GRM1 (0.46) GRM1CYP2D6DRD2DRD4OPRM1
SCHEMBL11444405 0.73 SLC2A1 (0.44) GRM1CYP2D6DRD2DRD4OPRM1
SCHEMBL30616105 0.73 CA4 (0.46) GRM1ALDH1A1
SCHEMBL19031866 0.69 CYP19A1 (0.42) GRM1CYP2D6DRD2DRD4OPRM1
SCHEMBL2815328 0.69 ALDH1A1 (0.48) GRM1ALDH1A1MAPK1ATM
SCHEMBL30616106 0.69 GRM1 (0.41) GRM1CYP2D6ESR1CYP3A4ATM
SCHEMBL11479931 0.68 GRM1 (0.46) GRM1ESR1ESR2CYP3A4ALDH1A1
SCHEMBL30911310 0.68 KCNA5 (0.47) CYP3A4
SCHEMBL27404978 0.68 KCNA5 (0.47) CYP3A4

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-20170012203-A1 Quinoid Compounds and Their Use in Semiconducting Matrix Materials, Electronic and Optoelectronic Structural Elements NOVALED GMBH (DE) 2017-01-12 US disclosed
US-9490432-B2 Quinoid compounds and their use in semiconducting matrix materials, electronic and optoelectronic structural elements NOVALED AG (DE) 2016-11-08 US disclosed
US-20100193774-A1 Quinoid Compounds and Their Use in Semiconducting Matrix Materials, Electronic and Optoelectronic Structural Elements NOVALED AG (DE) 2010-08-05 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 (2 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-20170012203-A1 Quinoid Compounds and Their Use in Semiconducting Matrix Materials, Electronic and Optoelectronic Structural Elements NES, VIM, PAX2 GRM1 3683/4885CYP2D6 877/4885DRD2 1964/4885
US-20100193774-A1 Quinoid Compounds and Their Use in Semiconducting Matrix Materials, Electronic and Optoelectronic Structural Elements NES, VIM, PAX2 GRM1 3683/4885CYP2D6 877/4885DRD2 1964/4885

“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.