SCHEMBL18101995

SCHEMBL18101995

Cc1ccc2c(c1)C(CCCCCCN(C)C)(CCCCCCN(C)C)c1cc(C)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDK2 Q15119 2/20 0.33
METAP1 P53582 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 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
SCHEMBL16625751 1.00 CYP2D6 (0.39) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL16252198 0.94 CYP2D6 (0.35) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL16204114 0.94 CYP2D6 (0.35) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL17401214 0.94 CYP2D6 (0.35) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL16625748 0.94 CYP2D6 (0.35) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL17147236 0.94 CYP2D6 (0.35) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL23665375 0.93 CYP2D6 (0.41) CYP2D6CYP1A2CYP2C19PDK2METAP1
SCHEMBL10111204 0.93 CYP2D6 (0.38) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL17147223 0.91 METAP1 (0.33) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL17147234 0.91 METAP1 (0.33) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160285008-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE Konica Minolta, Inc. (JP) 2016-09-29 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-20160285008-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE EML4, L1CAM, OCIAD2 CYP2D6 3127/4885CYP1A2 2807/4885CYP2C19 1846/4885

“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.