SCHEMBL19919664

SCHEMBL19919664

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
NR3C1 P04150 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
PPARG P37231 2/20 0.36
KDM4E B2RXH2 3/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL19919667 0.97 TRPA1 (0.42) TRPA1GABRA1GABRG2GABRB3GABRA2
SCHEMBL23487681 0.92 TRPA1 (0.38) TRPA1GABRA1GABRG2GABRB3GABRA2
SCHEMBL19909433 0.90 AR (0.36) TRPA1NR3C1ALDH1A1CYP1A2HSD17B10
SCHEMBL19909200 0.90 STS (0.34) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL19917588 0.89 TRPA1 (0.40) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19919755 0.88 TRPA1 (0.40) TRPA1GABRA1GABRG2GABRB3GABRA2
SCHEMBL19913260 0.88 TRPA1 (0.40) TRPA1GABRA1GABRG2GABRB3GABRA2
SCHEMBL23487687 0.88 TRPA1 (0.40) TRPA1GABRA1GABRG2GABRB3GABRA2
SCHEMBL19909435 0.87 AR (0.38) TRPA1NR3C1ALDH1A1CYP1A2HSD17B10
SCHEMBL19913302 0.87 KDM4E (0.40) ALDH1A1CYP1A2HSD17B10HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 TRPA1 70/4885GABRA1 2198/4885GABRG2 1265/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 TRPA1 1168/4885GABRA1 4224/4885GABRG2 3357/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 TRPA1 70/4885GABRA1 2198/4885GABRG2 1265/4885

“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.