SCHEMBL487380

SCHEMBL487380

O=C(O)C1(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
SCHEMBL4637584 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 165 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665734-B1 METHOD FOR THE MANUFACTURE OF COMPOUNDS CONTAINING AN alpha-OXY PHOSPHORUS GROUP STRAITMARK HOLDING AG (CH) 2016-06-29 EP claimed
EP-2110118-B1 Malodour reducing composition and uses thereof TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
EP-1754748-B1 Fragrance-emitting rubber composition for tire KUMHO TIRE CO INC (KR) 2010-09-29 EP claimed
EP-2110118-A1 Malodour reducing composition and uses thereof Takasago International Corporation (JP) 2009-10-21 EP claimed
US-20090257973-A1 MALODOR REDUCING COMPOSITION, FRAGRANCE COMPOSITION AND PRODUCT COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-15 US claimed
EP-1601778-B1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL SCIENT IND RES (IN) 2008-07-02 EP claimed
CN-101096345-A Method for preparing chirality 2-hydroxyl group-3-amino-benzene ethylformic acid or its ester TIANJIN TASLY GROUP CO LTD (CN) 2008-01-02 CN claimed
EP-1601778-A1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES Council of Scientific and Industrial Research (IN) 2005-12-07 EP claimed
WO-2004087932-A2 ENZYMATIC RESOLUTION OF (±) METHYL TRANS-3-PHENYL GLYCIDATE SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2004-10-14 WO claimed
WO-2004081219-A1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-09-23 WO claimed
EP-0860439-B1 Process for preparing an optically active phenylglycidyl acid derivative DSM NV (NL) 2001-06-13 EP claimed
US-6025506-A Process for preparing an optically active phenylglycidyl acid derivative DSM N.V. (NL) 2000-02-15 US claimed
EP-0860439-A1 Process for preparing an optically active phenylglycidyl acid derivative DSM N.V. (NL) 1998-08-26 EP claimed
EP-0343714-B1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM NV (NL) 1994-11-02 EP claimed
EP-0343714-A1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM N.V. (NL) 1989-11-29 EP claimed
JP-2109995-A None JP disclosed
JP-11349584-A None JP disclosed
EP-0198397-A2 Method of producing L-phenylalanine KURARAY CO., LTD. (JP) 1986-10-22 EP disclosed
US-4351952-A Process for preparing phenyl pyruvic acids MONTEDISON S.P.A. (IT) 1982-09-28 US disclosed
JP-H00568588-A 0001-01-01 JP 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-20090257973-A1 MALODOR REDUCING COMPOSITION, FRAGRANCE COMPOSITION AND PRODUCT COMPRISING THE SAME AKR1C4, AKR1C3, AKR1C1 AKR1C1 3/4885OPRM1 460/4885OPRL1 666/4885

“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.