SCHEMBL3673166

SCHEMBL3673166

COC(=O)CC(O)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
LMNA P02545 1/20 0.53
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
MAPT P10636 2/20 0.51
ATM Q13315 1/20 0.49

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
SCHEMBL3673164 1.00 CYP2D6 (0.55) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL6321887 0.84 ADRB2 (0.65) CYP2D6ADRB2ADRB1ADRB3
SCHEMBL6321893 0.84 ADRB2 (0.65) CYP2D6ADRB2ADRB1ADRB3
SCHEMBL28162666 0.84 MAPT (0.56) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL4655066 0.84 RAB9A (0.50) CYP2D6ADRB2ADRB1ADRB3MTNR1A
SCHEMBL10334338 0.83 MTNR1A (0.55) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL4654986 0.83 TDP1 (0.52) CYP2D6MTNR1AMTNR1BMAPTATM
SCHEMBL4744800 0.82 CYP2D6 (0.57) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL666863 0.82 CYP2D6 (0.57) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL6321005 0.82 ADRB2 (0.58) CYP2D6ADRB2ADRB1ADRB3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616852-B1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO LTD (JP) 2010-08-11 EP disclosed
EP-1113033-B1 Polyhydroxyalkanoate CANON KK (JP) 2008-11-26 EP disclosed
US-7256305-B2 Process for producing β-hydroxyester DAISO CO., LTD. (JP) 2007-08-14 US disclosed
US-7169598-B2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20060122419-A1 Esterification of an epoxide, an alcohol and carbon monoxide in the presence of a cobalt carbonyl compound as catalyst and a cocatalyst of substituted pyridine DAISO CO., LTD. (JP) 2006-06-08 US disclosed
EP-1616852-A1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO., LTD. (JP) 2006-01-18 EP disclosed
US-20040067576-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
US-6649381-B1 Biosynthesis of high purity polylactones CANON KABUSHIKI KAISHA (JP) 2003-11-18 US disclosed
US-20030208029-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2003-11-06 US disclosed
US-6586562-B2 Polylactone with units such as of 3-hydroxy-5-(4-fluorophenyl)valeric acid; biosynthesis of the polylactone by microorganism; Pseudomonas cichorii; P. putida; P. jessenii CANON KABUSHIKI KAISHA (JP) 2003-07-01 US disclosed
US-20020022253-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2002-02-21 US disclosed
EP-1113033-A2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2001-07-04 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-20060122419-A1 Esterification of an epoxide, an alcohol and carbon monoxide in the presence of a cobalt carbonyl compound as catalyst and a cocatalyst of substituted pyridine CYP2E1, CBR1, ADH1A CYP2D6 564/4885ADRB2 1702/4885ADRB1 1070/4885

“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.