SCHEMBL19912573

SCHEMBL19912573

Cc1cc(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)c(-n3c4ccccc4c4cc(C#N)ccc43)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
MAT2A P31153 1/20 0.33
GRM5 P41594 2/20 0.32
AR P10275 3/20 0.32
KIF11 P52732 2/20 0.32
XDH P47989 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
ELANE P08246 1/20 0.31
RORC P51449 3/20 0.30
SYK P43405 1/20 0.30
TSHR P16473 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
SCHEMBL19918049 0.95 KIF11 (0.33) MAT2AGRM5ARKIF11XDH
SCHEMBL19903697 0.93 KIF11 (0.33) PTGER4MAT2AARKIF11XDH
SCHEMBL19912356 0.92 AR (0.35) MAT2AARKIF11XDHNR3C1
SCHEMBL22822133 0.92 RXRA (0.35) PTGER4MAT2AARKIF11XDH
SCHEMBL21440727 0.92 MAT2A (0.38) PTGER4MAT2AGRM5ARXDH
SCHEMBL19918033 0.91 RXRA (0.35) PTGER4MAT2AGRM5ARXDH
SCHEMBL19912570 0.90 KIF11 (0.34) ARKIF11XDHNR3C1PGR
SCHEMBL19918023 0.90 AR (0.36) PTGER4ARKIF11XDHNR3C1
SCHEMBL20617041 0.89 RXRA (0.34) PTGER4MAT2AARKIF11XDH
SCHEMBL19917942 0.88 AR (0.36) PTGER4ARKIF11XDHNR3C1

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 PTGER4 993/4885MAT2A 2653/4885GRM5 4185/4885

“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.