SCHEMBL20849047

SCHEMBL20849047

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-c2c(C#N)cccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.33
XDH P47989 1/20 0.33
STS P08842 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CETP P11597 1/20 0.31
KIF11 P52732 1/20 0.30
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

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
SCHEMBL20849230 0.97 TACR1 (0.33) TACR1XDHSTSALOX5APFEN1
SCHEMBL20848984 0.93 TACR1 (0.35) TACR1RXRARXRGKDM4EKIF11
SCHEMBL22985026 0.93 AR (0.34) TACR1RXRARXRGKDM4EKIF11
SCHEMBL22985550 0.93 ALOX5AP (0.39) XDHALOX5APFEN1KDM4E
SCHEMBL22985712 0.93 ALOX5AP (0.39) XDHSTSALOX5APFEN1KDM4E
SCHEMBL20849046 0.93 TACR1 (0.38) TACR1RXRARXRGKDM4EKIF11
SCHEMBL21399611 0.92 ALOX5AP (0.37) XDHSTSALOX5APFEN1KDM4E
SCHEMBL20849087 0.92 MAT2A (0.36) TACR1RXRARXRGKDM4ECETP
SCHEMBL20848944 0.92 RXRA (0.35) TACR1RXRARXRGKDM4EGABRA1
SCHEMBL20849272 0.92 AR (0.34) TACR1RXRARXRGKDM4EGABRA1

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 TACR1 2846/4885XDH 1790/4885STS 3632/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 TACR1 2846/4885XDH 1790/4885STS 3632/4885

“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.