SCHEMBL3078638

SCHEMBL3078638

CC(C)(C)[Si](OCCC(=O)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NR4A2 P43354 1/20 0.43
KMT2A Q03164 4/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 2/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PLOD1 Q02809 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 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
SCHEMBL1291772 0.86 LMNA (0.42) L3MBTL1LMNANR4A2ALDH1A1CYP2C19
SCHEMBL9156477 0.84 SMYD2 (0.41) MAPTLMNAALDH1A1CYP2C19CYP3A4
SCHEMBL7250332 0.84 NPC1 (0.43) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL29102862 0.83 SMYD2 (0.38) MAPTALDH1A1CYP2C19CYP3A4HIF1A
SCHEMBL2763783 0.82 MAOA (0.37) CYP3A4SMN1; SMN2HTT
SCHEMBL26264744 0.82 SMYD2 (0.38) MAPTLMNAKMT2AALDH1A1CYP3A4
SCHEMBL1291773 0.82 LMNA (0.40) MAPTLMNAKMT2AALDH1A1CYP3A4
SCHEMBL9433444 0.81 L3MBTL1 (0.46) L3MBTL1TDP1MAPTLMNANR4A2
SCHEMBL20296763 0.81 SMYD2 (0.37) MAPTLMNAALDH1A1CYP3A4GAA
SCHEMBL4649810 0.81 SMYD2 (0.40) MAPTLMNAKMT2ACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-09 US disclosed
EP-1879886-B1 Inhibitors of mitotic kinesins and their therapeutical use ARRAY BIOPHARMA INC (US) 2014-07-09 EP disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-20060247178-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2006-11-02 US disclosed
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
EP-0788490-B1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2000-07-05 EP disclosed
EP-0788490-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
EP-0788497-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
US-5527827-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-06-18 US disclosed
WO-1996013491-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO 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 (5 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 L3MBTL1 3042/4885TDP1 179/4885MAPT 122/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 L3MBTL1 3924/4885TDP1 239/4885MAPT 166/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 L3MBTL1 3924/4885TDP1 239/4885MAPT 166/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 L3MBTL1 3042/4885TDP1 179/4885MAPT 122/4885
US-20060247178-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 L3MBTL1 3042/4885TDP1 179/4885MAPT 122/4885

“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.