SCHEMBL4753702

SCHEMBL4753702

Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
RXRB P28702 2/20 0.44
PREP P48147 4/20 0.40
RXRA P19793 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6519326 0.88 CA12 (0.46) CA12CA1CA9PREPHTT
SCHEMBL20046200 0.85 CA1 (0.43) CA12CA1CA9PREPHTT
SCHEMBL3866565 0.83 HTT (0.44) RXRBRXRAHTTALDH1A1KDM4E
SCHEMBL1656366 0.82 CA12 (0.43) CA12CA1CA9ALDH1A1KDM4E
SCHEMBL7308992 0.82 CA12 (0.43) CA12CA1CA9PREPALDH1A1
SCHEMBL1604135 0.82 CA12 (0.43) CA12CA1CA9PREPALDH1A1
SCHEMBL29053391 0.81 CA12 (0.46) CA12CA1CA9PREPALDH1A1
SCHEMBL5509632 0.81 CA12 (0.43) CA12CA1CA9PREPALDH1A1
SCHEMBL28613347 0.81 CA12 (0.43) CA12CA1CA9PREPALDH1A1
SCHEMBL9097136 0.80 CA12 (0.44) CA12CA1CA9PREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008157330-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
EP-1848463-A2 METHOD OF CONJUGATING AMINOTHIOL CONTAINING MOLECULES TO VEHICLES Amgen Inc. (US) 2007-10-31 EP disclosed
US-20060199812-A1 Method of conjugating aminothiol containing molecules to vehicles AMGEN INC. 2006-09-07 US disclosed
WO-2006079099-A2 METHOD OF CONJUGATING AMINOTHIOL CONTAINING MOLECULES TO A POLYMER AMGEN INC. (US) 2006-07-27 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-20060199812-A1 Method of conjugating aminothiol containing molecules to vehicles SLC7A1, QPCT, SLC7A5 CA12 1890/4885CA1 2857/4885CA9 3333/4885

“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.