SCHEMBL19912413

SCHEMBL19912413

Cc1cc(-c2cc(-n3c4ccccc4c4cc(C)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(C)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.35
KIF11 P52732 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
RORC P51449 1/20 0.31
KDM4E B2RXH2 3/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL19912422 0.97 KIF11 (0.36) ARKIF11NR3C1PGRNR3C2
SCHEMBL19903530 0.96 AR (0.34) ARKIF11HRH1HTR6RORC
SCHEMBL19912387 0.96 AR (0.35) ARKIF11PGRHRH1HTR6
SCHEMBL19912383 0.95 KIF11 (0.36) ARKIF11NR3C1PGRNR3C2
SCHEMBL19917907 0.94 KIF11 (0.38) ARKIF11NR3C1PGRNR3C2
SCHEMBL19912408 0.94 KIF11 (0.35) ARKIF11NR3C1PGRNR3C2
SCHEMBL19912356 0.94 AR (0.35) ARKIF11NR3C1PGRNR3C2
SCHEMBL22564470 0.93 RXRA (0.34) ARKIF11HRH1HTR6RORC
SCHEMBL19912445 0.93 AR (0.37) ARKIF11NR3C1PGRNR3C2
SCHEMBL19912425 0.93 KIF11 (0.36) ARKIF11HRH1HTR6RORC

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 4212/4885KIF11 3316/4885NR3C1 3779/4885

“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.