SCHEMBL19345003

SCHEMBL19345003

CC1c2ccccc2N(c2cccc(-c3cc(C#N)cc(C#N)c3)c2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
FAAH O00519 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
MGLL Q99685 1/20 0.37
DHFR P00374 2/20 0.34
MCHR1 Q99705 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PGR P06401 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
BRD4 O60885 1/20 0.32
LRRK2 Q5S007 1/20 0.32
GRM5 P41594 1/20 0.32
ALDH1A3 P47895 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
SCHEMBL19340270 0.89 FADS1 (0.32) ALDH1A1PGRBRD4
SCHEMBL19344976 0.86 HRH3 (0.34) FAAHMGLLMCHR1HRH3PGR
SCHEMBL19345290 0.85 PTGES (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19344951 0.84 FADS1 (0.36) ALDH1A1BRD4GRM5
SCHEMBL19345294 0.79 PGR (0.40) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19345296 0.79 FAAH (0.40) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19345001 0.78 FAAH (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19344991 0.78 ALDH1A1 (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19345002 0.78 ALDH1A1 (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19344970 0.78 CHEK1 (0.44) ALDH1A1FAAHHSP90AA1PKMHTT

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 ALDH1A1 616/4885FAAH 4316/4885HSP90AA1 4489/4885

“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.