SCHEMBL20849231

SCHEMBL20849231

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
TACR1 P25103 2/20 0.32
KDM4E B2RXH2 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
ICMT O60725 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
SCHEMBL20848944 0.96 RXRA (0.35) RXRARXRGTACR1KDM4EGABRA1
SCHEMBL20849226 0.95 RXRA (0.35) RXRARXRGTACR1KDM4EGABRA1
SCHEMBL20849274 0.94 ICMT (0.32) TACR1KDM4EGABRA1GABRG2GABRB3
SCHEMBL20849221 0.94 TACR1 (0.38) RXRARXRGTACR1KDM4EGABRA1
SCHEMBL20849084 0.93 PTPN5 (0.36) RXRARXRGTACR1KDM4E
SCHEMBL20849312 0.93 TACR1 (0.35) RXRARXRGTACR1KDM4EGABRA1
SCHEMBL20849230 0.92 TACR1 (0.33) TACR1
SCHEMBL21399262 0.92 KIF11 (0.33) KDM4E
SCHEMBL20849296 0.92 TACR1 (0.33) RXRARXRGTACR1KDM4EICMT
SCHEMBL20849028 0.92 RXRA (0.38) RXRARXRGTACR1KDM4EGABRA1

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 RXRA 1822/4885RXRG 1841/4885TACR1 2846/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 RXRA 1822/4885RXRG 1841/4885TACR1 2846/4885

“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.