SCHEMBL1825802

SCHEMBL1825802

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
SCHEMBL198081 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 34 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-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
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
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
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2011-08-25 US disclosed
EP-2323655-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-2323656-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-6140529-A Synthesis of optically active cyclohexylphenylglycolate esters SEPRACOR INC. (US) 2000-10-31 US disclosed
EP-0828702-B1 PROCESS FOR RESOLVING CHIRAL ACIDS WITH 1-AMINOINDAN-2-OLS SEPRACOR INC (US) 2000-08-30 EP disclosed
US-6090971-A Resolution process for cyclohexylphenyl glycolic acid SEPRACOR INC. (US) 2000-07-18 US disclosed
WO-2000023414-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS SEPRACOR INC. (US) 2000-04-27 WO disclosed
US-5973182-A Carbonate Intermediates useful in the preparation of optically active cyclohexylphenylglycolate esters SEPRACOR INC. (US) 1999-10-26 US disclosed
EP-0828702-A1 PROCESS FOR RESOLVING CHIRAL ACIDS WITH 1-AMINOINDAN-2-OLS SEPRACOR, INC. (US) 1998-03-18 EP disclosed
US-5677469-A PREPARING MIXTURE OF CHIRAL ACID AND ENANTIOMER OF AMINOINDANOL IN SOLVENT, SEPARATING DIASTEREOMERIC SALT, RECOVERING CHIRAL ACID SEPRACOR, INC. (US) 1997-10-14 US disclosed
WO-1996036584-A1 PROCESS FOR RESOLVING CHIRAL ACIDS WITH 1-AMINOINDAN-2-OLS SEPRACOR, INC. (US) 1996-11-21 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 (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-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A PTGDR2 198/4885LMNA 2328/4885MAPK1 2720/4885
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT GRK5, GRK2, GRK4 PTGDR2 130/4885LMNA 3904/4885MAPK1 291/4885
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.