SCHEMBL12418040

SCHEMBL12418040

CCCC[Si](c1ccc(OC)cc1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
GAA P10253 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL13566212 0.89 CA12 (0.41) GAALMNAALDH1A1MAPTCA12
SCHEMBL17789578 0.82 CA12 (0.44) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL421851 0.81 CA12 (0.39) GAALMNAALDH1A1ALOX12SMN1; SMN2
SCHEMBL14062437 0.79 CALM1 (0.47) GAALMNAALDH1A1MEN1MAPT
SCHEMBL10317652 0.74 CA12 (0.39) HDAC3HDAC1HDAC2ALDH1A1MEN1
SCHEMBL132588 0.72 ALDH1A1 (0.46) ALDH1A1HPGDALOX12SMN1; SMN2CA12
SCHEMBL29457622 0.70 CYP17A1 (0.39) GAAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL22822208 0.68 HTT (0.46) ALDH1A1MEN1KMT2ASLC6A4HTT
SCHEMBL15756322 0.67 CA1 (0.50) GAAALDH1A1MEN1MAPTHPGD
SCHEMBL5832935 0.67 CA1 (0.44) GAAALDH1A1MEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376385-B2 Solid-phase supports and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-06-28 US disclosed
US-9376385-B2 Solid-phase supports and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-06-28 US disclosed
US-20150240006-A1 Solid-Phase Supports and Uses Thereof INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-08-27 US disclosed
US-20150240006-A1 Solid-Phase Supports and Uses Thereof INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-08-27 US disclosed
US-8530456-B2 Sonic hedgehog modulators PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-09-10 US disclosed
US-20110172233-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-07-14 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 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 (3 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-20080070916-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR HDAC3 188/4885HDAC1 67/4885HDAC2 295/4885
US-20110172233-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO HDAC3 2494/4885HDAC1 1331/4885HDAC2 2928/4885
US-20150240006-A1 Solid-Phase Supports and Uses Thereof ACR, ALK, ALKBH3 HDAC3 4530/4885HDAC1 4641/4885HDAC2 4736/4885

“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.