SCHEMBL6800909

SCHEMBL6800909

COC(OC)C1CC(O)=CC(=O)O1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
PNLIP P16233 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL6747788 0.85 THRB (0.33) MAPTTSHRCYP3A4THRBALOX15
SCHEMBL7361709 0.80 KDM4E (0.36) MAPTALDH1A1
SCHEMBL14041237 0.79
SCHEMBL157410 0.70
SCHEMBL18855283 0.66 CYP3A4 (0.38) CYP3A4ALDH1A1CYP1A2
SCHEMBL6602578 0.65 CYP1A1 (0.52) MAPTCYP3A4ALDH1A1CYP1A2
SCHEMBL2217512 0.63 THRB (0.41) THRBALOX15SMN1; SMN2
SCHEMBL10326025 0.63 THRB (0.41) THRBALOX15SMN1; SMN2
SCHEMBL4651594 0.63 CYP3A4 (0.40) CYP3A4MAOAALDH1A1CYP1A2
SCHEMBL4446005 0.63 THRB (0.41) THRBALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134696-B1 PROCESSES FOR THE PREPARATION OF STATINS, PARTICULARLY ROSUVASTATIN, AND INTERMEDIATES FOR THE PREPARATION THEREOF LEK PHARMACEUTICALS (SI) 2017-05-17 EP disclosed
US-8471045-B2 Synthesis of statins LEK PHARMACEUTICALS D.D. (SI) 2013-06-25 US disclosed
US-20120196333-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2012-08-02 US disclosed
US-8183397-B2 Synthesis of statins LEK PHARMACEUTICALS D.D. (SI) 2012-05-22 US disclosed
US-20110178295-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2011-07-21 US disclosed
WO-2008119810-A2 PROCESSES FOR THE PREPARATION OF STATINS, PARTICULARLY ROSUVASTATIN, AND INTERMEDIATES FOR THE PREPARATION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2008-10-09 WO disclosed
US-5670662-A Pyranones ZENECA LIMITED (GB) 1997-09-23 US disclosed
US-5527916-A Pyranones ZENECA LIMITED (GB) 1996-06-18 US disclosed
US-5443971-A Pyranones ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0604525-A1 ENZYMATIC PRODUCTION OF OPTICAL ISOMERS OF TETRAHYDROPYRAN-2-ONES ZENECA LIMITED (GB) 1994-07-06 EP disclosed
WO-1993006236-A1 ENZYMATIC PRODUCTION OF OPTICAL ISOMERS OF TETRAHYDROPYRAN-2-ONES ZENECA LIMITED (GB) 1993-04-01 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 (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-20110178295-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY MAPT 3576/4885TSHR 3984/4885CYP3A4 25/4885
US-20120196333-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY MAPT 3576/4885TSHR 3984/4885CYP3A4 25/4885

“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.