SCHEMBL3279844

SCHEMBL3279844

CCOC(=O)C(C)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ACHE P22303 1/20 0.46
AURKA O14965 1/20 0.43
NTRK1 P04629 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
STAT3 P40763 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL28896831 0.87 PTGS2 (0.43) KMT2AMEN1ACHETSHRTDP1
SCHEMBL1792502 0.86 ESR1 (0.53) KMT2ASMN1; SMN2GAATSHRTDP1
SCHEMBL9232941 0.86 ESR1 (0.53) KMT2ASMN1; SMN2GAATSHRTDP1
SCHEMBL9235662 0.86 ESR1 (0.53) KMT2ASMN1; SMN2GAATSHRTDP1
SCHEMBL8429803 0.85 AKR1C3 (0.46) HTTTSHRALOX5PTGS2ALDH1A1
SCHEMBL13631372 0.85 PTGS2 (0.41) KMT2AMEN1TSHRTDP1ALOX5
SCHEMBL28435303 0.85 ACHE (0.47) KMT2AACHETSHRALOX5PTGS2
SCHEMBL7796149 0.85 PSEN1 (0.50) SMN1; SMN2GAAHTTTSHRTDP1
SCHEMBL1625348 0.85 LMNA (0.55) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL11589410 0.85 KMT2A (0.40) KMT2AMEN1SMN1; SMN2GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349681-A Method for splitting 2- (4-methylphenyl) propionic acid enantiomer by using immobilized lipase to catalyze ester hydrolysis kinetics 湖南理工学院 2020-06-30 CN claimed
US-12398089-B2 Method for preparing organic carboxylic ester by using combined catalyst of aryl bidentate phosphine ligand NANJING CHENGZHI CLEAN ENERGY CO. LTD. (CN) 2025-08-26 US disclosed
US-20220402854-A1 PROCESSES AND INTERMEDIATES FOR PREPARING alpha,omega-DICARBOXYLIC ACID-TERMINATED DIALKENE ETHERS NEUROBO PHARMACEUTICALS INC (US) 2022-12-22 US disclosed
US-20220402854-A1 PROCESSES AND INTERMEDIATES FOR PREPARING alpha,omega-DICARBOXYLIC ACID-TERMINATED DIALKENE ETHERS NEUROBO PHARMACEUTICALS INC (US) 2022-12-22 US disclosed
US-20220298097-A1 METHOD FOR PREPARING ORGANIC CARBOXYLIC ESTER BY USING COMBINED CATALYST OF ARYL BIDENTATE PHOSPHINE LIGAND NANJING CHENGZHI CLEAN ENERGY CO. LTD. (CN) 2022-09-22 US disclosed
CN-111057168-B Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2022-07-12 CN disclosed
CN-111087306-B Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis 南京诚志清洁能源有限公司 2021-08-03 CN disclosed
WO-2021129138-A1 METHOD FOR PREPARING ORGANIC CARBOXYLIC ESTER BY MEANS OF COMBINATORIAL CATALYSIS WITH ARYL BIDENTATE PHOSPHINE LIGAND 南京诚志清洁能源有限公司 2021-07-01 WO disclosed
WO-2021129138-A1 METHOD FOR PREPARING ORGANIC CARBOXYLIC ESTER BY MEANS OF COMBINATORIAL CATALYSIS WITH ARYL BIDENTATE PHOSPHINE LIGAND 南京诚志清洁能源有限公司 2021-07-01 WO disclosed
CN-111704543-A Process and intermediates for preparing alpha, omega-dicarboxylic acid terminated dialkyl ethers 燿石治疗公司 2020-09-25 CN disclosed
US-20030078429-A1 Process and diastereomeric salts useful for the optical resolution of racemic a-[4- (1,1-dimethylethy) phenyl) -4- (hydroxydipenylmethyl) -1-piperidinebutanol and derivative compounds NAKAMURA MITSUO (JP) 2003-04-24 US disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
WO-2002030860-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed
EP-0759904-B1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC 4-[4-[-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINYL]-1-HYDROXYBUTYL]-ALPHA,ALPHA-DIMETHYLBENZENE ACETIC ACID. MERRELL PHARMA INC (US) 2000-07-05 EP disclosed
EP-0711283-B1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER (US) 1999-06-16 EP disclosed
US-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 US disclosed
EP-0759904-A1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC ALPHA-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL AND DERIVATIVE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1997-03-05 EP disclosed
EP-0711283-A1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER INC. (US) 1996-05-15 EP disclosed
WO-1995031436-A1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC α-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL AND DERIVATIVE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1995-11-23 WO disclosed
WO-1995003281-A1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-02-02 WO 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 (4 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-20220402854-A1 PROCESSES AND INTERMEDIATES FOR PREPARING alpha,omega-DICARBOXYLIC ACID-TERMINATED DIALKENE ETHERS ELOVL3, DGKI, ELOVL5 KMT2A 3774/4885MEN1 1505/4885ACHE 2437/4885
US-20030078429-A1 Process and diastereomeric salts useful for the optical resolution of racemic a-[4- (1,1-dimethylethy) phenyl) -4- (hydroxydipenylmethyl) -1-piperidinebutanol and derivative compounds ARRB1, HTR4, HCAR1 KMT2A 3327/4885MEN1 2363/4885ACHE 2384/4885
US-20220298097-A1 METHOD FOR PREPARING ORGANIC CARBOXYLIC ESTER BY USING COMBINED CATALYST OF ARYL BIDENTATE PHOSPHINE LIGAND POF1B, ADH1C, OSBP KMT2A 3132/4885MEN1 3768/4885ACHE 2444/4885
US-12398089-B2 Method for preparing organic carboxylic ester by using combined catalyst of aryl bidentate phosphine ligand POF1B, ADH1C, OSBP KMT2A 3132/4885MEN1 3768/4885ACHE 2444/4885

“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.