SCHEMBL840466

SCHEMBL840466

CC(C)(C)[SiH2]OC(C)(C)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ACHE P22303 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ALOX15 P16050 1/20 0.34
KIF11 P52732 3/20 0.34

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
SCHEMBL501379 0.78 PRKCA (0.37) ALDH1A1ALOX15TSHR
SCHEMBL3124960 0.78 ACHE (0.35) ALDH1A1LMNAHDAC4HDAC2HDAC8
SCHEMBL29472192 0.77 ALDH1A1 (0.59) ESR1ESR2ALDH1A1CYP3A4CA12
SCHEMBL5270913 0.77 ESR1 (0.48) ESR1ESR2ALDH1A1CYP3A4LMNA
SCHEMBL7718229 0.77 ALDH1A1 (0.59) ESR1ESR2ALDH1A1CYP3A4CA12
SCHEMBL481292 0.75 KIF11 (0.38) KIF11TSHR
SCHEMBL5198050 0.74 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL4783565 0.73 PRKCI (0.43) KIF11
SCHEMBL4742321 0.73 CYP1A2 (0.57) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL1121367 0.72 CA3 (0.38) ESR1ALDH1A1CA5ACA9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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 (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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI ESR1 3722/4885ESR2 3112/4885ALDH1A1 293/4885

“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.