Phenylacetic Acid

Phenylacetic Acid

SCHEMBL541980

O=C([O-])Cc1ccccc1.[K+]

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Phenylacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.48
CES1 P23141 3/20 0.71
CES2 O00748 2/20 0.71
AKR1B1 P15121 1/20 0.64
FNTA P49354 1/20 0.58
FNTB P49356 1/20 0.58
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ALDH1A1 P00352 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
Phenylacetic Acid SCHEMBL11772449 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL1685642 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL78312 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL62440 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL6547052 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL6930085 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL11248694 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL3477184 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL7214226 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB
Phenylacetic Acid SCHEMBL8410214 0.95 CES1 (0.71) CES1CES2AKR1B1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119977842-A Perovskite nano cage material and preparation method thereof 苏州大学 2025-05-13 CN claimed
WO-2024149252-A1 MAGNESIUM PHOSPHATE SUBSTANCE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 上海石趣医药科技有限公司 2024-07-18 WO claimed
CN-118146483-A Flame-retardant low-smoke-toxicity polyurethane foam material and preparation method thereof 西华大学 2024-06-07 CN claimed
CN-111115597-B Preparation method of porous nano hydroxyapatite based on aromatic acid salt 天津工业大学 2023-06-23 CN claimed
CN-111484409-B Preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal 新发药业有限公司 2023-05-05 CN claimed
CN-112277496-A High-performance fountain solution and preparation method thereof 浙江创思杰印务有限公司 2021-01-29 CN claimed
CN-111484409-A Low-cost preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal 新发药业有限公司 2020-08-04 CN claimed
CN-111115597-A Preparation method of porous nano hydroxyapatite based on aromatic acid salt 天津工业大学 2020-05-08 CN claimed
EP-1289515-B1 PHARMACEUTICAL COMPOSITION CONTAINING AT LEAST A POLYMER ASSOCIATED OR CONJUGATED WITH AT LEAST A PHENYLALKYLCARBOXYLIC ACID SALT, CONJUGATE POLYMERS AND USES THEREOF BIODEX (FR) 2004-10-13 EP claimed
US-20030171333-A1 Pharmaceutical composition containing at least a polymer combined with or conjugated to at least a phenylalkylcarboxylic acid salt, conjugate polymers and uses thereof BIODEX (FR) 2003-09-11 US claimed
EP-0885872-B1 Continuous process for the preparation of aqueous solutions of alkaline salts of arylcetic acids ATOFINA (FR) 2001-11-21 EP claimed
CN-1203220-A Process for continuously preparing aryl alkali salt acetate aqueous solution ATOCHEM ELF SA (FR) 1998-12-30 CN claimed
US-12414986-B2 Use of glutamine synthetase for treating fatty liver disease THOERIS GMBH (AT) 2025-09-16 US disclosed
US-12359184-B2 Use of glutamine synthetase for treating hyperammonemia THOERIS GMBH (AT) 2025-07-15 US disclosed
US-12338471-B2 Use of glutamine synthetase for treating hyperammonemia THOERIS GMBH (AT) 2025-06-24 US disclosed
CN-119977842-A Perovskite nano cage material and preparation method thereof 苏州大学 2025-05-13 CN disclosed
US-4208481-A BIOSYNTHESIS E. R. SQUIBB & SONS, INC. (US) 1980-06-17 US disclosed
US-4164445-A Ethanol as the major source of carbon and energy in penicillin production E. R. SQUIBB & SONS, INC. (US) 1979-08-14 US disclosed
US-4128572-A FROM A BENZYL HALIDE AND CARBON MONOXIDE, COBALT HYDROCARBONYL SALT CATALYST MONTEDISON S.P.A. (IT) 1978-12-05 US disclosed
US-4011180-A NOVEL COCATALYST SYSTEM FOR TRIMERIZING POLYISOCYANATES THE UPJOHN COMPANY (US) 1977-03-08 US disclosed