SCHEMBL19912466

SCHEMBL19912466

Cc1cc(-c2c(-n3c4ccccc4c4ccc(C(C)(C)C)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(C(C)(C)C)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.39
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
MAT2A P31153 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
RORC P51449 1/20 0.30
GRM5 P41594 1/20 0.30
TACR1 P25103 1/20 0.30
TAS2R14 Q9NYV8 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
SCHEMBL19912463 0.95 KIF11 (0.34) KIF11RXRARXRGMAT2APPARG
SCHEMBL19912465 0.95 RXRA (0.34) KIF11RXRARXRGMAT2AGRM5
SCHEMBL19903639 0.94 KIF11 (0.41) KIF11RXRARXRGMAT2APPARG
SCHEMBL22564464 0.94 KIF11 (0.41) KIF11RXRARXRGMAT2APPARG
SCHEMBL19912473 0.92 KIF11 (0.41) KIF11RXRARXRGMAT2AGRM5
SCHEMBL19912460 0.91 KIF11 (0.36) KIF11RXRARXRGMAT2AGRM5
SCHEMBL19912499 0.90 RXRA (0.36) KIF11RXRARXRGGRM5TACR1
SCHEMBL19912464 0.90 RXRA (0.34) KIF11RXRARXRGMAT2A
SCHEMBL19912492 0.89 AR (0.36) KIF11RXRARXRGTACR1TAS2R14
SCHEMBL19912503 0.89 RXRA (0.36) KIF11RXRARXRGGRM5TACR1

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 3316/4885RXRA 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.