SCHEMBL4933210

SCHEMBL4933210

COc1ccc([Si](Cl)(C(C)C)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 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
SCHEMBL706938 0.83 NR1H2 (0.30)
SCHEMBL7888513 0.79 MEN1 (0.36) TDP1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12816764 0.77 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL1225152 0.77 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL15756322 0.76 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL1200237 0.75 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL14062446 0.75 ACHE (0.40) CA1CA2CA7CA9ACHE
SCHEMBL5305926 0.75 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL22472159 0.73 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL705425 0.72 ESR1 (0.34) ACHETDP1TSHRSLC6A4KDM4E

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
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
US-6797819-B1 Alkaloids PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-09-28 US disclosed
US-20040059138-A1 Dihydropyrancarboxamides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-03-25 US disclosed
US-20040014168-A1 Reagents and methods for library synthesis and screening HOWARD HUGHES MEDICAL INSTITUTE 2004-01-22 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 (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-20040059138-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR CA1 1311/4885CA2 856/4885CA7 1389/4885
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR CA1 1644/4885CA2 1135/4885CA7 2135/4885

“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.