SCHEMBL19912527

SCHEMBL19912527

Cc1cc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(C#N)c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.37
RXRA P19793 2/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KDM5B Q9UGL1 3/20 0.34
KDM4A O75164 2/20 0.34
KIF11 P52732 2/20 0.33
TACR1 P25103 1/20 0.33
RXRB P28702 1/20 0.33
HIF1A Q16665 1/20 0.32
PTPN5 P54829 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
SCHEMBL19912524 0.97 KIF11 (0.35) ARRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL19912550 0.94 AR (0.35) ARRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL19912538 0.94 AR (0.44) ARRXRARXRGALDH1A1ADORA1
SCHEMBL19912556 0.94 KIF11 (0.37) ARRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL19912531 0.93 AR (0.40) ARRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL19912544 0.93 KDM5B (0.35) ARRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL19912540 0.93 AR (0.37) ARRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL19912545 0.93 KIF11 (0.36) ARRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL19903559 0.93 KIF11 (0.36) ARRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL19903692 0.92 RXRA (0.39) RXRARXRGALDH1A1SMN1; SMN2MAPT

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.