SCHEMBL19903601

SCHEMBL19903601

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7C#N)cc65)cc4C#N)c3c2)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.34
STS P08842 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDPK1 O15530 1/20 0.33
AR P10275 4/20 0.32
KIF11 P52732 2/20 0.32
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
PGR P06401 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
CETP P11597 1/20 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
SCHEMBL20617406 0.97 RXRA (0.34) XDHSTSALOX5APFEN1PDPK1
SCHEMBL19903610 0.96 ALOX5AP (0.35) XDHSTSALOX5APFEN1PDPK1
SCHEMBL19918005 0.95 STS (0.34) XDHSTSALOX5APFEN1PDPK1
SCHEMBL19903595 0.94 XDH (0.34) XDHSTSALOX5APFEN1PDPK1
SCHEMBL20617398 0.93 RXRA (0.36) XDHSTSALOX5APFEN1PDPK1
SCHEMBL22822253 0.92 RXRA (0.35) XDHSTSALOX5APFEN1PDPK1
SCHEMBL19903627 0.92 KIF11 (0.34) XDHPDPK1ARKIF11RXRA
SCHEMBL20617391 0.91 RXRA (0.34) XDHSTSALOX5APFEN1PDPK1
SCHEMBL19903608 0.91 KIF11 (0.39) PDPK1ARKIF11RXRARXRG
SCHEMBL25659739 0.90 ALOX5AP (0.39) XDHSTSALOX5APFEN1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 XDH 91/4885STS 1862/4885ALOX5AP 3371/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 XDH 68/4885STS 1632/4885ALOX5AP 3376/4885

“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.