SCHEMBL19912550

SCHEMBL19912550

Cc1cc(-c2cc(-n3c4cc(-c5cc(C)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C)cc(C(F)(F)F)c5)cc43)c(C#N)c(-n3c4cc(-c5cc(C)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C)cc(C(F)(F)F)c5)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
RXRA P19793 3/20 0.34
RXRG P48443 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
RXRB P28702 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 2/20 0.32
CYP11B2 P19099 2/20 0.32
NOTUM Q6P988 1/20 0.32
CYP11B1 P15538 1/20 0.32
KIF11 P52732 2/20 0.31
NAAA Q02083 1/20 0.31
HTT P42858 2/20 0.30
LMNA P02545 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19912544 0.99 KDM5B (0.35) ARRXRARXRGKDM5BRXRB
SCHEMBL19912531 0.96 AR (0.40) ARRXRARXRGKDM5BRXRB
SCHEMBL19917808 0.96 KDM5B (0.35) ARRXRARXRGKDM5BRXRB
SCHEMBL19912538 0.94 AR (0.44) ARRXRARXRGKDM5BALDH1A1
SCHEMBL19912527 0.94 AR (0.37) ARRXRARXRGKDM5BRXRB
SCHEMBL19912556 0.94 KIF11 (0.37) ARRXRARXRGKDM5BRXRB
SCHEMBL19903559 0.93 KIF11 (0.36) ARRXRARXRGKDM5BRXRB
SCHEMBL19912545 0.93 KIF11 (0.36) ARRXRARXRGKDM5BRXRB
SCHEMBL22822426 0.93 RXRA (0.41) ARRXRARXRGKDM5BRXRB
SCHEMBL19912338 0.93 POLB (0.35) ARRXRARXRGALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4212/4885RXRA 3635/4885RXRG 3474/4885

“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.