SCHEMBL19918005

SCHEMBL19918005

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4-n4c5ccccc5c5ccc(-c6ccc(C#N)cc6C#N)cc54)c3c2)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.34
XDH P47989 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PDPK1 O15530 1/20 0.33
AR P10275 4/20 0.33
KIF11 P52732 2/20 0.33
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
PGR P06401 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
CETP P11597 1/20 0.30
ENPP1 P22413 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
SCHEMBL22822253 0.97 RXRA (0.35) STSXDHALOX5APFEN1PDPK1
SCHEMBL19903601 0.95 XDH (0.34) STSXDHALOX5APFEN1PDPK1
SCHEMBL19918008 0.94 STS (0.34) STSXDHALOX5APFEN1PDPK1
SCHEMBL20925049 0.93 ALOX5AP (0.34) STSXDHALOX5APFEN1KIF11
SCHEMBL20925148 0.93 KIF11 (0.34) XDHPDPK1ARKIF11RXRA
SCHEMBL20617406 0.92 RXRA (0.34) STSXDHALOX5APFEN1PDPK1
SCHEMBL19903477 0.92 XDH (0.31) STSXDHALOX5APFEN1
SCHEMBL19917824 0.92 KIF11 (0.39) PDPK1ARKIF11RXRARXRG
SCHEMBL20617113 0.92 RXRA (0.38) STSXDHALOX5APFEN1AR
SCHEMBL22822652 0.91 RXRA (0.35) STSXDHALOX5APFEN1PDPK1

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 2 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
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC 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 (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 STS 1862/4885XDH 91/4885ALOX5AP 3371/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 STS 1632/4885XDH 68/4885ALOX5AP 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.