SCHEMBL20111829

SCHEMBL20111829

N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
KIF11 P52732 2/20 0.35
RORC P51449 1/20 0.33
AR P10275 7/20 0.33
SCN9A Q15858 5/20 0.33
ACP1 P24666 1/20 0.32
ELANE P08246 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
SCHEMBL20111849 0.95 KIF11 (0.36) TRPA1KIF11RORCARSCN9A
SCHEMBL20111831 0.95 AR (0.36) TRPA1KIF11ARELANE
SCHEMBL21258839 0.94 KIF11 (0.38) TRPA1KIF11ARSCN9AACP1
SCHEMBL20111823 0.94 TRPA1 (0.40) TRPA1KIF11RORCARSCN9A
SCHEMBL26777161 0.94 TRPA1 (0.40) TRPA1RORCARSCN9AACP1
SCHEMBL21258719 0.93 ALOX5AP (0.36) TRPA1KIF11RORCARSCN9A
SCHEMBL25659515 0.93 AR (0.38) TRPA1KIF11RORCARSCN9A
SCHEMBL26777703 0.93 KIF11 (0.37) TRPA1KIF11RORCSCN9A
SCHEMBL21258620 0.92 KIF11 (0.39) TRPA1KIF11RORCAR
SCHEMBL25658583 0.91 KIF11 (0.36) TRPA1KIF11RORCARSCN9A

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-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 TRPA1 39/4885KIF11 3426/4885RORC 1685/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 TRPA1 657/4885KIF11 3661/4885RORC 2905/4885

“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.