SCHEMBL916746

SCHEMBL916746

CC(C)(C)c1cccc(Nc2ccc([Si](C)(C)C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
IDH2 P48735 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
GRM4 Q14833 1/20 0.44
KCNK18 Q7Z418 1/20 0.43
BRD4 O60885 3/20 0.42
EGFR P00533 1/20 0.42
TNNI3K Q59H18 1/20 0.42
APP P05067 1/20 0.42
MAPK14 Q16539 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAF1 P04049 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL24206408 0.87 IDH2 (0.49) KIF11IDH2ABCG2GRM4KCNK18
SCHEMBL30365006 0.84 KIF11 (0.56) KIF11IDH2ABCG2GRM4KCNK18
SCHEMBL21252630 0.84 KIF11 (0.56) KIF11IDH2ABCG2GRM4KCNK18
SCHEMBL21625856 0.84 KIF11 (0.54) KIF11IDH2ABCG2GRM4KCNK18
SCHEMBL29514710 0.84 KIF11 (0.54) KIF11IDH2ABCG2GRM4KCNK18
SCHEMBL915691 0.82 NR1H2 (0.44) KIF11ABCG2MAPTSMN1; SMN2
SCHEMBL3398439 0.82 ALDH1A1 (0.60) KIF11IDH2ABCG2GRM4KCNK18
SCHEMBL26316048 0.79 P2RX1 (0.50) KIF11ABCG2GRM4KCNK18BRD4
SCHEMBL12266446 0.79 MAPT (0.53) KIF11ABCG2GRM4KCNK18BRD4
SCHEMBL22225354 0.78 KIF11 (0.50) KIF11IDH2ABCG2GRM4KCNK18

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647754-B2 Aromatic diamine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-02-11 US disclosed
US-20110006289-A1 AROMATIC DIAMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 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-20110006289-A1 AROMATIC DIAMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AOC1, DDC, CCNL2 KIF11 1337/4885IDH2 1223/4885ABCG2 3312/4885

“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.