SCHEMBL4265169

SCHEMBL4265169

O=C(O)C[C@H](O)C[C@@H](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
SCHEMBL7581853 1.00 CA1 (0.58) CA1CA2CA7CA9NPC1
SCHEMBL4668694 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149769-A1 NOVEL CARBONYL REDUCTASE, GENE THEREFOR AND USE THEREOF KANEKA CORPORATION (JP) 2013-06-13 US disclosed
US-20090029430-A1 Novel Carbonyl Reductase, Gene Therefor and Use Thereof KANEKA CORPORATION (JP) 2009-01-29 US disclosed
EP-1811021-A1 NOVEL CARBONYL REDUCTASE, GENE THEREFOR AND USE THEREOF Kaneka Corporation (JP) 2007-07-25 EP disclosed
WO-2002096915-A1 PROCESS FOR PRODUCING OPTICALLY PURE Δ - HYDROXY-Β -KETOESTER DERIVATIVES SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2002-12-05 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-20090029430-A1 Novel Carbonyl Reductase, Gene Therefor and Use Thereof AKR1C4, CBR3, FAR1 CA1 3006/4885CA2 3454/4885CA7 2630/4885

“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.