SCHEMBL19912570

SCHEMBL19912570

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
AR P10275 5/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
RORC P51449 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
XDH P47989 2/20 0.31
SLC22A12 Q96S37 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
SCHEMBL19912569 0.95 KIF11 (0.38) KIF11ARNR3C1PGRNR3C2
SCHEMBL19912412 0.94 KIF11 (0.34) KIF11ARNR3C1PGRNR3C2
SCHEMBL19903515 0.94 KIF11 (0.36) KIF11ARPGRRORCTSHR
SCHEMBL19912356 0.92 AR (0.35) KIF11ARNR3C1PGRNR3C2
SCHEMBL20617049 0.91 KIF11 (0.34) KIF11ARRORCPPARGPPARA
SCHEMBL19912573 0.90 PTGER4 (0.34) KIF11ARNR3C1PGRNR3C2
SCHEMBL19918023 0.90 AR (0.36) KIF11ARNR3C1PGRNR3C2
SCHEMBL19912577 0.90 KIF11 (0.43) KIF11ARNR3C1PGRNR3C2
SCHEMBL19917907 0.90 KIF11 (0.38) KIF11ARNR3C1PGRNR3C2
SCHEMBL19912384 0.90 TSHR (0.32) KIF11ARTSHRSMN1; SMN2XDH

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 KIF11 3316/4885AR 4212/4885NR3C1 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.