SCHEMBL1562979

SCHEMBL1562979

C[C@H](CN)[C@](O)(c1ccccc1)C(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.39
HTR2A P28223 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
KIF11 P52732 2/20 0.36
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 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
SCHEMBL9121840 1.00 TAAR1 (0.44) TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL9817490 1.00 TAAR1 (0.44) TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL9121020 0.80 CYP2D6 (0.42) TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL29457704 0.76 CYP2D6 (0.63) TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL10346211 0.73 TAAR1 (0.47) TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL3640366 0.72 TAAR1 (0.50) TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL29038820 0.72 CYP2C19 (0.49) TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL41959 0.70 ALDH1A1 (0.50) TAAR1CYP2C19ALDH1A1LMNACYP1A2
Hydrogen Peroxide SCHEMBL27577220 0.70 ALDH1A1 (0.55) TAAR1CYP2C19ALDH1A1LMNACYP1A2
SCHEMBL10514033 0.69 SMN1; SMN2 (0.43) TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653134-B2 Hydroxyphenol derivatives, processes for the preparation thereof, pharmaceutical compositions them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2014-02-18 US disclosed
EP-1836149-B1 PHENYLBENZOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2011-04-06 EP disclosed
US-7863328-B2 Phenylbenzoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2011-01-04 US disclosed
US-20080194608-A1 6-Phenylhex-5-Enoic Acid Derivatives, Process for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080161308-A1 e.g. 4-[6-(2-cyclohexylethoxy)-3-oxoindan-5-yloxy]butanoic acid; peroxisome proliferator-activated receptor (PPAR) gamma agonist; antiinflammatory, antidiabetic agent; dyslipidaemia, atherosclerosis, insulin resistance MERCK PATENT GMBH (DE) 2008-07-03 US disclosed
US-20080139599-A1 Phenylbenzoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-06-12 US disclosed
EP-1838655-A1 6-PHENYLHEX-5-ENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF Merck Patent GmbH (DE) 2007-10-03 EP disclosed
EP-1836150-A1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF Merck Patent GmbH (DE) 2007-09-26 EP disclosed
EP-1836149-A1 PHENYLBENZOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF Merck Patent GmbH (DE) 2007-09-26 EP disclosed
EP-1836187-A1 1H-INDOLE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS Merck Patent GmbH (DE) 2007-09-26 EP disclosed
WO-2006074797-A1 6-PHENYLHEX-5-ENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-07-20 WO disclosed
WO-2006074798-A1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-07-20 WO disclosed
WO-2006011045-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-02-02 WO disclosed
WO-2006011052-A1 METHOD FOR THE RACEMIZATION OF 2-TRIFLUORO-2H-CHROMENE-3-CARBOXYLIC ACIDS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-02 WO disclosed
WO-2006011047-A1 ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-02 WO disclosed
US-20060020023-A1 Racemization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US disclosed
US-20060016683-A1 Photoracamization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US disclosed
US-20060020022-A1 Enantioselective separation method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US disclosed
EP-0398288-B1 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids PUETTER MEDICE CHEM PHARM (DE) 1995-10-18 EP disclosed
EP-0398288-A2 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1990-11-22 EP 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 (6 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-20080194608-A1 6-Phenylhex-5-Enoic Acid Derivatives, Process for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof PCSK9, HMGCR, LIPA TAAR1 4075/4885CYP2D6 43/4885CYP2C19 154/4885
US-20080161308-A1 e.g. 4-[6-(2-cyclohexylethoxy)-3-oxoindan-5-yloxy]butanoic acid; peroxisome proliferator-activated receptor (PPAR) gamma agonist; antiinflammatory, antidiabetic agent; dyslipidaemia, atherosclerosis, insulin resistance PPARG, PPARA, PPARD TAAR1 1170/4885CYP2D6 660/4885CYP2C19 822/4885
US-20080139599-A1 Phenylbenzoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof APOB, PCSK9, TGFB1 TAAR1 3813/4885CYP2D6 253/4885CYP2C19 63/4885
US-20060020023-A1 Racemization method STS, SQLE, HAO2 TAAR1 778/4885CYP2D6 29/4885CYP2C19 31/4885
US-20060016683-A1 Photoracamization method CYP3A43, CRY2, CRY1 TAAR1 1282/4885CYP2D6 33/4885CYP2C19 20/4885
US-20060020022-A1 Enantioselective separation method SLC7A1, SLC10A1, DHCR7 TAAR1 906/4885CYP2D6 77/4885CYP2C19 240/4885

“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.