SCHEMBL7581853

SCHEMBL7581853

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
SCHEMBL4265169 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577040-B1 Process for the preparation of (3R,5S)-6-hydroxy-3,5-O-isopropylidene-3,5-dihydroxy-hexanoic acid, tert.-butyl ester HOECHST AG (DE) 1997-09-24 EP claimed
US-10544119-B2 Preparation method for chiral intermediate for use in statins ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2020-01-28 US disclosed
EP-3141544-B1 PREPARATION METHOD FOR CHIRAL INTERMEDIATE FOR USE IN STATINS ASYMCHEM LABORATORIES (TIANJIN) CO LTD (CN) 2018-02-07 EP disclosed
US-20170190684-A1 PREPARATION METHOD FOR CHIRAL INTERMEDIATE FOR USE IN STATINS ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2017-07-06 US disclosed
EP-3141544-A1 PREPARATION METHOD FOR CHIRAL INTERMEDIATE FOR USE IN STATINS Asymchem Laboratories (Tianjin) Co., Ltd (CN) 2017-03-15 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
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
EP-0583171-B1 (3R,5S)-3,5,6-trihydroxyhexanoic acid derivatives and methods for their production TAKASAGO PERFUMERY CO LTD (JP) 1998-11-11 EP disclosed
US-5324662-A Chemical intermediate for anticholesterol agent E. R. SQUIBB & SONS, INC. (US) 1994-06-28 US disclosed
EP-0583171-A2 (3R,5S)-3,5,6-trihydroxyhexanoic acid derivatives and methods for their production Takasago International Corporation (JP) 1994-02-16 EP disclosed
US-5286883-A (3R,5S)-3,5,6-trihydroxyhexanoic acid derivative and production method thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-15 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
US-4985571-A 6-membered lactones useful as intermediates for antilipemic mevalonic acid lactones Takano, Seiichi (JP) 1991-01-15 US disclosed
EP-0362628-A2 6-Membered lactones and process for their production Takano, Seiichi (JP) 1990-04-11 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 (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-20170190684-A1 PREPARATION METHOD FOR CHIRAL INTERMEDIATE FOR USE IN STATINS HMGCR, COASY, CETP CA1 874/4885CA2 600/4885CA7 340/4885
US-10544119-B2 Preparation method for chiral intermediate for use in statins HMGCR, COASY, CETP CA1 874/4885CA2 600/4885CA7 340/4885

“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.