SCHEMBL1260481

SCHEMBL1260481

CC(C)(C)OC(=O)C(O)C(=O)CCCCl

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL29671945 0.80
SCHEMBL14688156 0.79 MEN1 (0.34) KMT2AMEN1
SCHEMBL1258946 0.79 MEN1 (0.34) KMT2AMEN1
SCHEMBL16770413 0.73
SCHEMBL27591186 0.73 NOS1 (0.33) KMT2ALMNAHDAC3HDAC1HDAC2
SCHEMBL28744759 0.73 KMT2A (0.34) KMT2ALMNAMEN1GAA
SCHEMBL5052844 0.73 KMT2A (0.34) KMT2ALMNAMEN1GAA
SCHEMBL417782 0.72 EPHX2 (0.39) KMT2AHDAC3HDAC1HDAC2HDAC8
SCHEMBL6482409 0.70 TDP1 (0.54) KMT2ALMNA
SCHEMBL4576643 0.67 EPHX2 (0.41) LMNAHDAC3HDAC1HDAC2HDAC8

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
EP-2066788-B1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS INC (US) 2014-07-23 EP disclosed
US-8617864-B2 Polynucleotides encoding ketoreductases for producing stereoisomerically pure statins and synthetic intermediates therefor CODEXIS, INC. (US) 2013-12-31 US disclosed
US-20130040364-A1 POLYNUCLEOTIDES ENCODING KETOREDUCTASES FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2013-02-14 US disclosed
US-8273547-B2 Engineered ketoreductases and methods for producing stereoisomerically pure statins CODEXIS, INC. (US) 2012-09-25 US disclosed
US-20110195465-A1 Compositions and Methods for Producing Stereoisomerically Pure Statins and Synthetic Intermediates Therefor CODEXIS, INC. (US) 2011-08-11 US disclosed
US-7879585-B2 Ketoreductases of Saccharomyces cerevisiae; host cells CODEXIS, INC. (US) 2011-02-01 US disclosed
EP-2066788-A2 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR Codexis, Inc. (US) 2009-06-10 EP disclosed
US-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-10-09 US disclosed
WO-2008042876-A2 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-04-10 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-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR COASY, FAR1, HMGCR KMT2A 2252/4885LMNA 1754/4885HDAC3 3297/4885

“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.