SCHEMBL19912356

SCHEMBL19912356

Cc1cc(-c2cc(-n3c4ccccc4c4cc(C)ccc43)c(-n3c4ccccc4c4cc(C)ccc43)cc2C#N)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
GRM2 Q14416 1/20 0.32
XDH P47989 1/20 0.32
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
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NCOA1 Q15788 1/20 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
SCHEMBL19903576 0.96 AR (0.34) ARKIF11GRM2XDHHRH1
SCHEMBL19912355 0.95 AR (0.36) ARKIF11XDHPGRHRH1
SCHEMBL19912357 0.94 KIF11 (0.35) ARKIF11GRM2XDHNR3C1
SCHEMBL19912413 0.94 AR (0.35) ARKIF11GRM2NR3C1PGR
SCHEMBL20617041 0.93 RXRA (0.34) ARKIF11GRM2XDHHRH1
SCHEMBL19912570 0.92 KIF11 (0.34) ARKIF11XDHNR3C1PGR
SCHEMBL19918023 0.92 AR (0.36) ARKIF11XDHNR3C1PGR
SCHEMBL19912573 0.92 PTGER4 (0.34) ARKIF11XDHNR3C1PGR
SCHEMBL19912382 0.91 AR (0.30) AR
SCHEMBL19912422 0.91 KIF11 (0.36) ARKIF11XDHNR3C1PGR

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 3316/4885GRM2 2972/4885

“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.