SCHEMBL21364844

SCHEMBL21364844

N#Cc1ccc(-c2ccc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(-c3ccc(-n4c5ccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc5c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.36
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
KIF11 P52732 2/20 0.36
ABCG2 Q9UNQ0 4/20 0.34
ABCB1 P08183 2/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
SYK P43405 1/20 0.33
ICMT O60725 1/20 0.33
PDK2 Q15119 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL21364841 0.97 TACR1 (0.35) TACR1RXRARXRGKIF11ABCG2
SCHEMBL21364355 0.93 KIF11 (0.40) KIF11ABCG2ABCB1DGAT1SOAT1
SCHEMBL20849585 0.92 RXRA (0.35) TACR1RXRARXRGABCG2ABCB1
SCHEMBL27022493 0.92 KIF11 (0.40) KIF11ABCG2ABCB1DGAT1SOAT1
SCHEMBL20150403 0.91 PTGER4 (0.34) TACR1RXRARXRGABCG2ABCB1
SCHEMBL20777464 0.90 LMNA (0.38) RXRARXRGKIF11ABCG2ICMT
SCHEMBL21364561 0.90 ABCG2 (0.41) ABCG2ABCB1LMNA
SCHEMBL21364849 0.90 ABCG2 (0.41) ABCG2ABCB1LMNA
SCHEMBL21364353 0.90 KIF11 (0.38) KIF11ABCG2ABCB1DGAT1SOAT1
SCHEMBL21364979 0.89 ABCG2 (0.39) ABCG2ABCB1LMNA

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-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 TACR1 1433/4885RXRA 3402/4885RXRG 3083/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 TACR1 1433/4885RXRA 3402/4885RXRG 3083/4885

“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.