SCHEMBL20111832

SCHEMBL20111832

Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.49
TRPA1 O75762 1/20 0.36
KIF11 P52732 1/20 0.36
PGR P06401 2/20 0.36
XDH P47989 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
S1PR1 P21453 2/20 0.33
ERBB2 P04626 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SCN9A Q15858 2/20 0.33
BCAT1 P54687 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20111821 0.97 AR (0.52) ARTRPA1KIF11PGRXDH
SCHEMBL20111820 0.94 AR (0.49) ARTRPA1KIF11PGRXDH
SCHEMBL21258755 0.94 AR (0.49) ARTRPA1KIF11PGRXDH
SCHEMBL25660835 0.94 AR (0.47) ARTRPA1KIF11PGRXDH
SCHEMBL21258882 0.93 AR (0.41) ARTRPA1KIF11PGRXDH
SCHEMBL20111839 0.93 AR (0.51) ARTRPA1KIF11PGRXDH
SCHEMBL20111614 0.93 AR (0.41) ARTRPA1KIF11PGRXDH
SCHEMBL21258845 0.92 AR (0.39) ARTRPA1KIF11PGRXDH
SCHEMBL21258758 0.92 AR (0.52) ARTRPA1PGRXDHALOX5AP
SCHEMBL25659474 0.91 AR (0.49) ARTRPA1PGRS1PR1PDE3B

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 AR 4611/4885TRPA1 39/4885KIF11 3426/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4386/4885TRPA1 657/4885KIF11 3661/4885

“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.