SCHEMBL19344976

SCHEMBL19344976

CC1c2ccccc2N(c2ccc(-c3cc(C#N)cc(C#N)c3)cc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.34
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CYP19A1 P11511 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PGR P06401 2/20 0.31
FADS1 O60427 2/20 0.31
GRM5 P41594 1/20 0.31
MCHR1 Q99705 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
SCHEMBL19345023 0.90 HRH3 (0.40) HRH3BRD4BRD2BRD3PGR
SCHEMBL19340270 0.89 FADS1 (0.32) BRD4CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL19344951 0.87 FADS1 (0.36) BRD4FADS1GRM5
SCHEMBL19345003 0.86 ALDH1A1 (0.37) HRH3BRD4FAAHMGLLPGR
SCHEMBL19344971 0.85 ELANE (0.41) HRH3BRD4PGR
SCHEMBL19345029 0.84 MEN1 (0.34) HRH3CYP19A1FAAHMGLLSLC6A2
SCHEMBL19345072 0.81 PGR (0.35) CYP19A1PGR
SCHEMBL19344998 0.81 STS (0.41) CYP19A1PGR
SCHEMBL19344975 0.78 PGR (0.44) PGR
SCHEMBL19344977 0.78 FAAH (0.35) HRH3CYP19A1FAAHMGLLSLC6A2

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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, RPS10, OR51E2 HRH3 220/4885BRD4 1859/4885BRD2 2653/4885

“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.