SCHEMBL3057447

SCHEMBL3057447

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA9 Q16790 6/20 0.50
CA12 O43570 5/20 0.50
PREP P48147 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 1/20 0.50
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7363983 0.94 PREP (0.54) CA1CA9CA12PREPCA2
SCHEMBL6763899 0.91 PREP (0.53) CA1CA9CA12PREPCA2
SCHEMBL17782436 0.89 MAPT (0.61) PREPALDH1A1MEN1KMT2ATDP1
SCHEMBL23491348 0.84 PREP (0.57) CA1CA9CA12PREPKMT2A
SCHEMBL20358470 0.84 PREP (0.49) CA1CA9CA12PREPALDH1A1
SCHEMBL8138379 0.82 PREP (0.51) CA1CA9CA12PREPCA2
SCHEMBL614621 0.82 PREP (0.47) CA1CA9CA12PREPCA2
SCHEMBL2912460 0.82 ALDH1A1 (0.50) CA1CA9CA12PREPCA2
SCHEMBL7822307 0.80 S100B (0.59) CA1CA9CA12CA2ACHE
SCHEMBL5608460 0.80 PREP (0.46) CA1CA9CA12PREPCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-8758979-B2 Photoresist composition THE UNIVERSITY OF BIRMINGHAM (GB) 2014-06-24 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
WO-2009082398-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-07-02 WO disclosed
WO-2009041972-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-04-02 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-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME SPOUT1, MRPL21, NPEPPS CA1 3108/4885CA9 4117/4885CA12 4452/4885

“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.