SCHEMBL19912525

SCHEMBL19912525

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.36
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
HIF1A Q16665 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MAT2A P31153 4/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
AR P10275 2/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
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
SCHEMBL19912338 0.96 POLB (0.35) KIF11POLBSMN1; SMN2LMNAHTT
SCHEMBL19912530 0.95 KIF11 (0.43) KIF11POLBSMN1; SMN2LMNAHTT
SCHEMBL19903646 0.92 POLB (0.36) KIF11POLBSMN1; SMN2LMNAHTT
SCHEMBL19912335 0.91 KIF11 (0.37) KIF11POLBSMN1; SMN2LMNAHTT
SCHEMBL19912523 0.91 KIF11 (0.35) KIF11POLBMAT2ARXRARXRG
SCHEMBL19912550 0.90 AR (0.35) KIF11POLBSMN1; SMN2LMNAHTT
SCHEMBL19912537 0.89 KIF11 (0.39) KIF11POLBSMN1; SMN2LMNAHTT
SCHEMBL19912531 0.89 AR (0.40) KIF11POLBSMN1; SMN2LMNAHTT
SCHEMBL22564487 0.88 RXRA (0.41) KIF11POLBSMN1; SMN2LMNAHTT
SCHEMBL19912544 0.88 KDM5B (0.35) KIF11POLBSMN1; SMN2LMNAHTT

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 3316/4885POLB 2101/4885SMN1; SMN2 4419/4885

“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.