SCHEMBL473828

SCHEMBL473828

C[C@H](Oc1ccccc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.78
GAA P10253 1/20 0.78
CYP2C9 P11712 1/20 0.78
PKM P14618 1/20 0.78
CYP2C19 P33261 1/20 0.78
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
PPARG P37231 2/20 0.58
PPARA Q07869 2/20 0.58
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ADRB3 P13945 4/20 0.50
TSHR P16473 2/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL127395 1.00 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
Benzene SCHEMBL27779381 1.00 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL43054 1.00 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL31540359 0.98 CYP1A2 (0.75) CYP1A2GAACYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL1961683 0.98 CYP1A2 (0.75) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL18205114 0.98 CYP1A2 (0.75) CYP1A2GAACYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL8691716 0.98 CYP1A2 (0.75) CYP1A2GAACYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL8691488 0.98 CYP1A2 (0.75) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11842352 0.98 CYP1A2 (0.75) CYP1A2GAACYP2C9PKMCYP2C19
Fluoride SCHEMBL28081187 0.98 CYP1A2 (0.75) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504002-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE BETA-AMINOKETONES AND OPTICALLY ACTIVE 1,3-AMINOALCOHOLS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-12-19 EP claimed
US-8324425-B2 Method for producing bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-04 US claimed
US-20120071685-A1 METHOD FOR PRODUCING BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US claimed
CN-102356061-A Method for producing bicyclic g-amino acid derivative DAIICHI SANKYO CO LTD 2012-02-15 CN claimed
EP-1971222-A2 REDUCED SWEETNESS CONFECTIONARY COMPOSITIONS AND COATED/FILLED FOOD PRODUCTS GENERAL MILLS, INC. (US) 2008-09-24 EP claimed
WO-2007059066-A2 REDUCED SWEETNESS CONFECTIONARY COMPOSITIONS AND COATED/FILLED FOOD PRODUCTS GENERAL MILLS, INC. (US) 2007-05-24 WO claimed
US-20070110844-A1 REDUCED SWEETNESS CONFECTIONARY COMPOSITIONS AND COATED/FILLED FOOD PRODUCTS GENERAL MILLS, INC. 2007-05-17 US claimed
US-7161008-B2 Optically active β-aminoketones, optically active 1,3-amino alcohols and processes for preparing them Sanofi - Aventis Deutschland GmbH (DE) 2007-01-09 US claimed
EP-1576194-B1 BACTERIAL STRAINS OF DELFTIA ACIDOVORANS MC1-R, THEIR PRODUCTION AND THEIR USE IN THE PRODUCTION OF THE R ENANTIOMERS OF 2-PHENOXYPROPIONIC ACID DERIVATIVES UFZ LEIPZIGHALLE GMBH (DE) 2006-05-31 EP claimed
EP-1576147-B1 BACTERIAL STRAINS DELFTIA ACIDOVORANS MC1-S, PRODUCTION AND USE THEREOF FOR THE PRODUCTION OF THE S ENANTIOMERS OF 2-PHENOXYPROPIONIC ACID DERIVATIVES UFZ LEIPZIGHALLE GMBH (DE) 2006-05-24 EP claimed
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US claimed
EP-0862549-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEM PLASTIC (US) 2000-05-31 EP claimed
CN-1204314-A Process for preparing optically active carboxylic acids UNION CARBIDE CHEM PLASTIC (US) 1999-01-06 CN claimed
EP-0862549-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-09-09 EP claimed
US-5739385-A OXIDIZING AN OPTICALLY ACTIVE ALDEHYDE WITH A PERACID IN THE PRESENCE OF AN AMINE AND/OR AMINE N-OXIDE CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US claimed
WO-1997014669-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO claimed
EP-0159864-B1 METHOD OF MODIFYING TASTE TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1989-07-19 EP claimed
EP-0159864-A2 Method of modifying taste TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1985-10-30 EP claimed
JP-10175913-A None JP disclosed
US-4518416-A Certain trimethyl silyl-lower-alkyl esters of pyridyloxy-phenoxy-lower alkanoic acids, compositions containing same and herbicidal method of use BAYER AKTIENGESELLSCHAFT (DE) 1985-05-21 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 (2 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-20120071685-A1 METHOD FOR PRODUCING BICYCLIC gamma-AMINO ACID DERIVATIVE ADRA2A, GABRB2, ADRB2 CYP1A2 96/4885GAA 1160/4885CYP2C9 249/4885
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them ORMDL3, OR10J3, BCAT2 CYP1A2 429/4885GAA 3204/4885CYP2C9 1605/4885

“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.