SCHEMBL4668694

SCHEMBL4668694

O=C(O)CC(O)CC(O)COCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.51
SLC1A1 P43005 1/20 0.50
HMGCR P04035 1/20 0.48
MMP12 P39900 1/20 0.47
TSHR P16473 2/20 0.46
CA4 P22748 1/20 0.45
FOLH1 Q04609 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL4265169 1.00 CA1 (0.58) CA1CA2CA7CA9NPC1
SCHEMBL7581853 1.00 CA1 (0.58) CA1CA2CA7CA9NPC1
SCHEMBL8114468 1.00 CA1 (0.58) CA1CA2CA7CA9NPC1
SCHEMBL4842363 0.92 CA1 (0.64) CA1CA2CA7CA9NPC1
SCHEMBL4836421 0.92 CA1 (0.64) CA1CA2CA7CA9NPC1
SCHEMBL4836414 0.92 CA1 (0.64) CA1CA2CA7CA9NPC1
SCHEMBL9466787 0.86 CA1 (0.54) CA1CA2CA7CA9NPC1
SCHEMBL2216473 0.83 CA1 (0.50) CA1CA2CA7CA9NPC1
SCHEMBL2340083 0.82 CA1 (0.51) CA1CA2CA7CA9NPC1
SCHEMBL6482663 0.82 CA1 (0.51) CA1CA2CA7CA9NPC1

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
WO-2010034115-A1 THERMOSTABLE ALCOHOL DEHYDROGENASE DERIVED FROM THERMOCOCCUS GUAYMASENSIS MA KESEN (CA) 2010-04-01 WO disclosed
EP-1439162-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDROXYCARBOXYLIC ACID DERIVATIVE KANEKA CORP (JP) 2008-03-26 EP disclosed
EP-1282719-B1 PROCESS FOR THE PREPARATION OF DIHYDROXY ESTERS AND DERIVATIVES THEREOF ASTRAZENECA UK LTD (GB) 2006-06-14 EP disclosed
US-6998495-B2 Method for producing optically active 3,5-dihydroxycarboxylic acid derivative KANEKA CORPORATION (JP) 2006-02-14 US disclosed
US-20040254392-A1 Process for producing optically active 3,5-dihydroxycarboxylic acid derivative KANEKA CORPORATION (JP) 2004-12-16 US disclosed
EP-1439162-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDROXYCARBOXYLIC ACID DERIVATIVE KANEKA CORPORATION (JP) 2004-07-21 EP disclosed
EP-0569998-B1 Stereoselective microbial or enzymatic reduction of 3,5-dioxoesters to 3,5-dihydroxyesters SQUIBB & SONS INC (US) 2000-12-06 EP disclosed
US-5324662-A Chemical intermediate for anticholesterol agent E. R. SQUIBB & SONS, INC. (US) 1994-06-28 US disclosed
EP-0569998-A2 Stereoselective microbial or enzymatic reduction of 3,5-dioxo esters to 3-hydroxy-5-oxo, 3-oxo-5-hydroxy, and 3,5-dihydroxy esters E.R. SQUIBB & SONS, INC. (US) 1993-11-18 EP 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-20040254392-A1 Process for producing optically active 3,5-dihydroxycarboxylic acid derivative HAO2, GRHPR, HDHD5 CA1 738/4885CA2 207/4885CA7 434/4885

“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.