SCHEMBL19912520

SCHEMBL19912520

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(C(C)(C)C)cc43)c(C#N)c(-n3c4ccccc4c4ccc(C(C)(C)C)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MAT2A P31153 2/20 0.30
POLB P06746 1/20 0.30
PDE9A O76083 1/20 0.30
PDE1C Q14123 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
SCHEMBL19912393 0.95 KIF11 (0.36) KIF11PPARGPPARAPOLBPDE9A
SCHEMBL19912523 0.95 KIF11 (0.35) KIF11MAT2APOLB
SCHEMBL19903690 0.94 KIF11 (0.43) KIF11PPARGPPARAMAT2A
SCHEMBL19912530 0.92 KIF11 (0.43) KIF11MAT2APOLBPDE9APDE1C
SCHEMBL19912373 0.92 KIF11 (0.38) KIF11POLBPDE9APDE1C
SCHEMBL22564566 0.91 KIF11 (0.41) KIF11PPARGPPARAMAT2A
SCHEMBL19912335 0.91 KIF11 (0.37) KIF11POLBPDE9APDE1C
SCHEMBL19912556 0.91 KIF11 (0.37) KIF11POLBPDE9APDE1C
SCHEMBL19912545 0.90 KIF11 (0.36) KIF11POLBPDE9APDE1C
SCHEMBL19912522 0.90 KIF11 (0.36) KIF11POLBPDE9APDE1C

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 3316/4885PPARG 4511/4885PPARA 4762/4885

“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.