SCHEMBL2699352

SCHEMBL2699352

CC(C)(C)c1ccc2c(Br)c3ccccc3c(-c3ccc(Cl)cc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
CNR1 P21554 3/20 0.38
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DPP4 P27487 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGS2 P35354 1/20 0.32
CNR2 P34972 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL2700619 0.90 CNR1 (0.43) KIF11CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL2700290 0.88 KIF11 (0.42) KIF11NPC1RAB9AMEN1KMT2A
SCHEMBL12415326 0.85 KIF11 (0.39) KIF11NPC1RAB9AMEN1KMT2A
SCHEMBL6827027 0.83 DPP4 (0.40) KIF11CNR1POLBDPP4GPR84
SCHEMBL29511820 0.83 KIF11 (0.47) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL586251 0.83 KIF11 (0.47) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2448770 0.83 TNKS (0.40) KIF11NPC1RAB9ASMN1; SMN2GPR84
SCHEMBL29511722 0.82 KIF11 (0.46) KIF11NPC1RAB9AGPR84PTGS2
SCHEMBL3293135 0.82 KIF11 (0.46) KIF11NPC1RAB9AGPR84PTGS2
SCHEMBL2700890 0.82 KIF11 (0.38) KIF11POLBMEN1KMT2AGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
EP-2450356-A1 Carbazole and anthracene moiety containing light-emitting device material and light-emitting devices Toray Industries, Inc. (JP) 2012-05-09 EP disclosed
EP-1748045-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2012-05-02 EP disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 US disclosed
EP-1748045-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2007-01-31 EP 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 (2 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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE CRY1, MMS19, CRY2 KIF11 3622/4885CNR1 1931/4885NPC1 4289/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 KIF11 3099/4885CNR1 954/4885NPC1 4534/4885

“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.