SCHEMBL4637584

SCHEMBL4637584

O=C(O)[C@]1(c2ccccc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.47
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
LDHA P00338 1/20 0.40
HDAC4 P56524 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36

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
SCHEMBL4637662 1.00 AKR1C1 (0.47) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL487380 1.00 AKR1C1 (0.47) AKR1C1OPRM1OPRL1LMNAHTT
Ammonia Solution, Strong SCHEMBL6650400 0.98 AKR1C1 (0.45) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL5665997 0.86 AKR1C1 (0.40) AKR1C1OPRM1OPRL1LMNAHTT
Potassium Ion SCHEMBL11295824 0.85 AKR1C1 (0.38) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL6435655 0.85 AKR1C1 (0.39) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL5180168 0.83 LDHA (0.43) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL9852819 0.81 L3MBTL1 (0.42) LMNAALDH1A1CHRNB2SLC6A2CHRNB4
SCHEMBL7806202 0.81 HSD11B1 (0.46) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL8765171 0.81 LMNA (0.41) AKR1C1OPRM1OPRL1LMNAHDAC4

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
EP-1601778-B1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL SCIENT IND RES (IN) 2008-07-02 EP claimed
EP-1601778-B1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL SCIENT IND RES (IN) 2008-07-02 EP disclosed
EP-1601778-A1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES Council of Scientific and Industrial Research (IN) 2005-12-07 EP disclosed
US-20040259943-A1 Stereoselective chemoenzymatic process for the preparation of optically enriched phenylglycidates as precursors of taxol side chain COUNCIL OF SCIENTIFIC AND INDUSTRIAL (IN) 2004-12-23 US disclosed
WO-2004081219-A1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-09-23 WO disclosed
US-20030013889-A1 Process for the preparation of taxane derivatives AVENTIS PHARMA S.A. 2003-01-16 US disclosed
US-6433180-B1 CHEMICAL INTERMEDIATE FOR TAXOL AVENTIS PHARMA S.A. (FR) 2002-08-13 US disclosed
US-5686623-A Method for preparing taxane derivatives RHONE-POULENC RORER, S.A. (FR) 1997-11-11 US disclosed
EP-0157327-A2 Novel compounds for detecting the presence of hydrolytic analytes in a test sample MILES INC. (US) 1985-10-09 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-20030013889-A1 Process for the preparation of taxane derivatives AR, CBR1, CBR3 AKR1C1 14/4885OPRM1 234/4885OPRL1 299/4885
US-20040259943-A1 Stereoselective chemoenzymatic process for the preparation of optically enriched phenylglycidates as precursors of taxol side chain GMDS, GPI, B3GAT3 AKR1C1 82/4885OPRM1 1934/4885OPRL1 2286/4885

“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.