SCHEMBL198311

SCHEMBL198311

O=C(O)[C@@H](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
SCHEMBL198081 1.00 PTGDR2 (0.48) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL30913266 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 79 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
EP-1242589-B1 METHODS FOR PRODUCING ENANTIOMERICALLY PURE ALPHA-SUBSTITUTED CARBOXYLIC ACIDS VERENIUM CORP (US) 2013-11-13 EP claimed
US-8501451-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2013-08-06 US 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
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
US-7300775-B2 Methods for producing α-substituted carboxylic acids using nitrilases and strecker reagents VERENIUM CORPORATION (US) 2007-11-27 US claimed
US-6825378-B2 TREATING CYCLOHEXYLPHENYL KETONE WITH YLIDE IN ANHYDROUS SOLVENT TO OBTAIN A-CYCLOHEXYLSTYRENE; DIHYDROXYLATION, OXIDATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-11-30 US claimed
US-20040192962-A1 Process for the synthesis of enantiomerically pure cyclohexylphenyl glycolic acid COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-09-30 US claimed
EP-1242589-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE ALPHA-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2002-09-25 EP claimed
US-20020012974-A1 Genetic engineered nucleic acid promoter VERENIUM CORPORATION 2002-01-31 US claimed
WO-2001048175-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE α-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2001-07-05 WO claimed
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 disclosed
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 disclosed
US-5973182-A Carbonate Intermediates useful in the preparation of optically active cyclohexylphenylglycolate esters SEPRACOR INC. (US) 1999-10-26 US disclosed
WO-1999050205-A2 ASYMMETRIC GRIGNARD SYNTHESIS WITH CYCLIC 1,2 AMINOALCOHOLS SEPRACOR INC. (US) 1999-10-07 WO disclosed
US-5036107-A Treatment of neurogenic bladder disorders MARION MERRELL DOW INC. (US) 1991-07-30 US 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 (5 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-20020012974-A1 Genetic engineered nucleic acid promoter RNGTT, ASPH, ALKBH3 PTGDR2 4308/4885LMNA 1933/4885MAPK1 4046/4885
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
US-20040192962-A1 Process for the synthesis of enantiomerically pure cyclohexylphenyl glycolic acid GRHPR, PGD, HPD PTGDR2 2495/4885LMNA 3406/4885MAPK1 481/4885

“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.