SCHEMBL20112007

SCHEMBL20112007

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
AR P10275 10/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KIF11 P52732 3/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
PGR P06401 2/20 0.32
RORC P51449 1/20 0.31
PTPN5 P54829 1/20 0.31
SCN9A Q15858 2/20 0.30

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
SCHEMBL20111880 0.95 AR (0.34) TRPA1ARALOX5APFEN1KIF11
SCHEMBL21258614 0.95 ALOX5AP (0.35) TRPA1ARALOX5APFEN1KIF11
SCHEMBL20112011 0.94 TRPA1 (0.35) TRPA1ARALOX5APFEN1KIF11
SCHEMBL21258817 0.94 PTPN5 (0.39) TRPA1ARALOX5APFEN1PGR
SCHEMBL21258620 0.94 KIF11 (0.39) TRPA1ARALOX5APFEN1KIF11
SCHEMBL25659579 0.93 TRPA1 (0.36) TRPA1ARKIF11PGRRORC
SCHEMBL20111825 0.92 TRPA1 (0.36) TRPA1ARALOX5APFEN1KIF11
SCHEMBL20111616 0.91 AR (0.41) TRPA1ARALOX5APFEN1KIF11
SCHEMBL20111879 0.91 RXRA (0.34) ARALOX5APFEN1KIF11RXRA
SCHEMBL21258719 0.91 ALOX5AP (0.36) TRPA1ARALOX5APFEN1KIF11

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-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
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP 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 39/4885AR 4611/4885ALOX5AP 2592/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 TRPA1 657/4885AR 4386/4885ALOX5AP 3253/4885

“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.