SCHEMBL1259907

SCHEMBL1259907

CC(O)CC(=O)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GABRR1 P24046 2/20 0.33
CYP2C19 P33261 2/20 0.33
ECE1 P42892 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL7781837 1.00 LDHA (0.40) LDHASRRSLC22A6TP53SMN1; SMN2
SCHEMBL787741 0.95 LDHA (0.36) LDHASRRSLC22A6TP53SMN1; SMN2
SCHEMBL17733 0.81 ALDH1A1 (0.46) LDHASRRSLC22A6MAPTALDH1A1
3-Hydroxybutyric Acid, (+/-)- SCHEMBL16915288 0.81 LDHA (0.50) LDHASRRSLC22A6TP53SMN1; SMN2
SCHEMBL11762118 0.80 LDHA (0.47) LDHASRRSLC22A6SMN1; SMN2MAPT
SCHEMBL2775806 0.80 CYP2C19 (0.44) SLC22A6TP53ALDH1A1CYP2C19TDP1
SCHEMBL5665861 0.79 ALDH1A1 (0.43) TP53ALDH1A1CYP2C19TDP1
SCHEMBL28073104 0.79 ALDH1A1 (0.43) LDHASRRSLC22A6MAPTALDH1A1
(R)-3-Hydroxybutanoate SCHEMBL1533862 0.77 SLC22A6 (0.56) SLC22A6TP53SMN1; SMN2MAPTLMNA
3-Hydroxybutyric Acid, (+/-)- SCHEMBL1881926 0.77 SLC22A6 (0.56) SLC22A6TP53SMN1; SMN2MAPTLMNA

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104789505-B Reduction prepares the method and strain of cis 3,5 dihydroxyhexanoate compound 苏州东和盛昌生物科技有限公司 2018-03-06 CN claimed
CN-104342410-B Ketone reductase mutant and preparation method thereof 南京朗恩生物科技有限公司 2017-04-19 CN claimed
CN-101528917-B Compositions and methods for preparing stereoisomerically pure statins and synthetic intermediates thereof CODEXIS, INC. (US) 2015-07-29 CN claimed
CN-104789505-A Method and strain for preparing cis-3,5-dihydroxyhexanoate compound by reduction and strain SUZHOU DONGHESHENGCHANG BIOTECHNOLOGY CO LTD 2015-07-22 CN claimed
CN-104342410-A Ketone reductase mutant and preparation method thereof NANJING LANG EN BIOLOG SCIENCE & TECHNOLOGY CO LTD 2015-02-11 CN claimed
EP-2066788-B1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS INC (US) 2014-07-23 EP claimed
US-8617864-B2 Polynucleotides encoding ketoreductases for producing stereoisomerically pure statins and synthetic intermediates therefor CODEXIS, INC. (US) 2013-12-31 US claimed
US-8273547-B2 Engineered ketoreductases and methods for producing stereoisomerically pure statins CODEXIS, INC. (US) 2012-09-25 US claimed
US-20110195465-A1 Compositions and Methods for Producing Stereoisomerically Pure Statins and Synthetic Intermediates Therefor CODEXIS, INC. (US) 2011-08-11 US claimed
US-7879585-B2 Ketoreductases of Saccharomyces cerevisiae; host cells CODEXIS, INC. (US) 2011-02-01 US claimed
CN-101528917-A Compositions and methods for preparing stereoisomerically pure statins and synthetic intermediates thereof CODEXIS INC (US) 2009-09-09 CN claimed
EP-2066788-A2 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR Codexis, Inc. (US) 2009-06-10 EP claimed
US-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-10-09 US claimed
WO-2008042876-A2 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-04-10 WO claimed
EP-1439162-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDROXYCARBOXYLIC ACID DERIVATIVE KANEKA CORP (JP) 2008-03-26 EP claimed
US-6998495-B2 Method for producing optically active 3,5-dihydroxycarboxylic acid derivative KANEKA CORPORATION (JP) 2006-02-14 US claimed
US-20040254392-A1 Process for producing optically active 3,5-dihydroxycarboxylic acid derivative KANEKA CORPORATION (JP) 2004-12-16 US claimed
EP-1439162-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDROXYCARBOXYLIC ACID DERIVATIVE KANEKA CORPORATION (JP) 2004-07-21 EP claimed
US-20220025411-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2022-01-27 US disclosed
US-3977884-A ELECTROLESS PLATING, COMPLEXING AGENTS, REDUCING AGENTS SHIPLEY COMPANY, INC. (US) 1976-08-31 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-20040254392-A1 Process for producing optically active 3,5-dihydroxycarboxylic acid derivative HAO2, GRHPR, HDHD5 LDHA 429/4885SRR 109/4885SLC22A6 4289/4885
US-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR COASY, FAR1, HMGCR LDHA 1197/4885SRR 88/4885SLC22A6 2136/4885

“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.