SCHEMBL198081

SCHEMBL198081

O=C(O)C(O)c1ccccc1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.48
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGDR Q13258 1/20 0.39
KMO O15229 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PTGS2 P35354 1/20 0.37
HPGD P15428 1/20 0.37
KIF11 P52732 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP2 P50579 2/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL1825802 1.00 PTGDR2 (0.48) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL30913266 1.00 PTGDR2 (0.48) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL198311 1.00 PTGDR2 (0.48) PTGDR2LMNAMAPK1PTGDRKMO
Hydrochloric Acid SCHEMBL8869405 0.98 PTGDR2 (0.47) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL415803 0.98 PTGDR2 (0.45) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL2062948 0.98 PTGDR2 (0.45) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL418663 0.98 PTGDR2 (0.45) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL28336946 0.85 PTGDR2 (0.43) PTGDR2LMNAPTGDRKMOPTGS2
SCHEMBL7919662 0.85 PTGDR2 (0.43) PTGDR2KMOKDM4EPTGS2MEN1
SCHEMBL2062720 0.85 PTGDR2 (0.42) PTGDR2KDM4EPTGS2MEN1KMT2A

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 234 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886690-A Method for separating 2-cyclohexyl mandelic acid enantiomer by multistage liquid-liquid extraction 江西中医药大学 2024-04-16 CN claimed
US-20130316409-A1 Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2013-11-28 US claimed
US-8501451-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2013-08-06 US claimed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION (US) 2012-01-12 US claimed
US-20120009633-A1 NITRILASES AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2012-01-12 US claimed
US-8088613-B2 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2012-01-03 US claimed
US-8034595-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2011-10-11 US claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
US-20090162906-A1 Biocatalysts; mutant and/or chemically modified enzymes; stereoselectively hydrolyze an amino nitrile or cyanohydrin intermediate to produce the corresponding carboxylic acid; e.g. phenylglycinonitrile from benzaldehyde, potassium cyanide and ammonium chloride VERENIUM CORPORATION (US) 2009-06-25 US claimed
WO-2001048175-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE α-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2001-07-05 WO claimed
US-6180823-B1 CONDENSING SUBSTITUTED ACETALDEHYDE WITH ENANTIOMER OF MANDELIC ACID TO PROVIDE 5-PHENYL-1,3-DIOXOLAN-4-ONE, CONDENSING WITH CYCLOHEXANONE, DEHYDRATING PRODUCT, HYDROLYZING, REDUCING TO ALPHA-CYCLOHEXYLPHENYLGLYCOLIC ACID SEPRACOR INC. 2001-01-30 US claimed
US-6140529-A Synthesis of optically active cyclohexylphenylglycolate esters SEPRACOR INC. (US) 2000-10-31 US claimed
US-6090971-A Resolution process for cyclohexylphenyl glycolic acid SEPRACOR INC. (US) 2000-07-18 US claimed
WO-2000027786-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS SEPRACOR INC. (US) 2000-05-18 WO claimed
WO-2000023414-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS SEPRACOR INC. (US) 2000-04-27 WO claimed
US-6025177-A ENANTIOSELECTIVE SYNTHESIS OF CHIRAL ALPHA-HYDROXYCARBOXYLATE BY REACTING A PROCHIRAL ALPHA-KETOCARBOXYLIC ACID WITH A SINGLE ENANTIOMER OF AN N-SUBSTITUTED VICINAL AMINOALCOHOL OF SPECIFIC CYCLOHYDROCARBONS TO FORM ALPHA-HYDROXYCARBOXYLATE SEPRACOR INC. (US) 2000-02-15 US claimed
WO-1999050205-A2 ASYMMETRIC GRIGNARD SYNTHESIS WITH CYCLIC 1,2 AMINOALCOHOLS SEPRACOR INC. (US) 1999-10-07 WO claimed
EP-0806948-A1 TREATING URINARY INCONTINENCE USING (S)-OXYBUTYNIN AND (S)-DESETHYLOXYBUTYNIN SEPRACOR, INC. (US) 1997-11-19 EP claimed
WO-1996023492-A1 TREATING URINARY INCONTINENCE USING (S)-OXYBUTYNIN AND (S)-DESETHYLOXYBUTYNIN SEPRACOR, INC. (US) 1996-08-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120009633-A1 NITRILASES AND METHODS FOR MAKING AND USING THEM ASNS, DNPEP, ASPH PTGDR2 4426/4885LMNA 2894/4885MAPK1 3419/4885
US-20090162906-A1 Biocatalysts; mutant and/or chemically modified enzymes; stereoselectively hydrolyze an amino nitrile or cyanohydrin intermediate to produce the corresponding carboxylic acid; e.g. phenylglycinonitrile from benzaldehyde, potassium cyanide and ammonium chloride PAH, ASPH, CPN1 PTGDR2 4808/4885LMNA 1773/4885MAPK1 3361/4885
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them RNGTT, NSUN2, NSUN3 PTGDR2 4544/4885LMNA 1395/4885MAPK1 4287/4885

“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.