SCHEMBL19912523

SCHEMBL19912523

Cc1cc(-c2cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c(C#N)c(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
RXRA P19793 2/20 0.32
RXRB P28702 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
POLB P06746 1/20 0.31
RXRG P48443 1/20 0.31
MAT2A P31153 1/20 0.30
RAPGEF3 O95398 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
ICMT O60725 1/20 0.30
NOTUM Q6P988 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
SCHEMBL19912520 0.95 KIF11 (0.40) KIF11POLBMAT2A
SCHEMBL19917969 0.93 KIF11 (0.38) KIF11RXRAGRIA2GRIA4RXRG
SCHEMBL19912377 0.92 RAPGEF3 (0.33) KIF11RXRARXRBGRIA2GRIA4
SCHEMBL19912525 0.91 KIF11 (0.36) KIF11RXRAPOLBRXRGMAT2A
SCHEMBL22822429 0.90 RXRA (0.40) KIF11RXRAGRIA2GRIA4RXRG
SCHEMBL19912550 0.90 AR (0.35) KIF11RXRARXRBPOLBRXRG
SCHEMBL19912338 0.90 POLB (0.35) KIF11RXRAPOLBRXRGNOTUM
SCHEMBL19912393 0.89 KIF11 (0.36) KIF11RXRARXRBPOLBRAPGEF3
SCHEMBL19912544 0.88 KDM5B (0.35) KIF11RXRARXRBPOLBRXRG
SCHEMBL19903690 0.88 KIF11 (0.43) KIF11RXRAGRIA2GRIA4RXRG

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 3635/4885RXRB 3722/4885

“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.