SCHEMBL448107

SCHEMBL448107

CC(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.51
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
PTGER4 P35408 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CXCL8 P10145 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46

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
SCHEMBL15641295 1.00 AKR1B1 (0.51) AKR1B1AKR1C3AKR1C2PTGER4ALDH1A1
SCHEMBL8120419 1.00 AKR1B1 (0.51) AKR1B1AKR1C3AKR1C2PTGER4ALDH1A1
SCHEMBL27890998 0.98 AKR1B1 (0.50) AKR1B1AKR1C3AKR1C2PTGER4ALDH1A1
SCHEMBL599732 0.90 AKR1B1 (0.47) AKR1B1AKR1C3AKR1C2PTGER4ALDH1A1
SCHEMBL15695555 0.89 ALDH1A1 (0.48) AKR1B1AKR1C3AKR1C2PTGER4ALDH1A1
SCHEMBL28241058 0.89 ALDH1A1 (0.48) AKR1B1AKR1C3AKR1C2PTGER4ALDH1A1
SCHEMBL17782926 0.86 ALDH1A1 (0.50) PTGER4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL11691644 0.85 AKR1B1 (0.65) AKR1B1AKR1C3AKR1C2PTGER4CXCL8
SCHEMBL3315435 0.85 PTGER4 (0.47) PTGER4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1566758 0.85 ALDH1A1 (0.48) AKR1B1PTGER4ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US claimed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US claimed
CN-113862058-B Lubricating oil composition and preparation method thereof 中国石油化工股份有限公司(CN) 2023-01-13 CN claimed
CN-114502152-A Pharmaceutical composition for topical use in the form of a dispersed phase based on at least one short-chain diol and comprising at least one anti-inflammatory substance in a continuous fatty phase 化工产品开发公司SEPPIC 2022-05-13 CN claimed
CN-113861032-A Ester compound, preparation method and application thereof, and lubricating oil composition 中国石油化工股份有限公司 2021-12-31 CN claimed
CN-113861031-A Ester compound, preparation method and application thereof, and lubricating oil composition 中国石油化工股份有限公司 2021-12-31 CN claimed
CN-113862058-A Lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2021-12-31 CN claimed
CN-112739326-A Pharmaceutical composition for topical use comprising at least one anti-inflammatory substance 化工产品开发公司SEPPIC 2021-04-30 CN claimed
CN-109456201-B Method for asymmetrically synthesizing (R) -cinacalcet 中国农业大学 2020-04-28 CN claimed
US-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 US claimed
EP-0143371-B1 PROCESS FOR THE OPTICAL RESOLUTION OF RACEMIC MIXTURES OF ALPHA-NAPHTHYL-PROPIONIC ACIDS ALFA CHEM ITAL (IT) 1988-02-24 EP claimed
US-4724102-A Optical resolution of racemic mixtures of alpha-naphthylpropionic acids and derivatives of said acids ALFA CHEMICALS ITALIANA S.P.A. (IT) 1988-02-09 US claimed
US-4723033-A REACTING ALPHA METAL ACID DERIVATIVE AND ARYL HALIDE WITH OPTICALLY ACTIVE CATALYST SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1988-02-02 US claimed
EP-0220805-A2 Multiphase tablet and process for the preparation thereof Euroceltique S.A. (LU) 1987-05-06 EP claimed
US-4661628-A Process for the optical resolution of racemic mixtures of α-naphthyl-propionic acids ALFA CHEMICALS ITALIANA S.P.A. (IT) 1987-04-28 US claimed
EP-0204911-A2 A new process for the optical resolution of racemic mixtures of alpha-naphthylpropionic acids ALFA WASSERMANN S.p.A. (IT) 1986-12-17 EP claimed
US-4622419-A AMIDATION, ACID HYDROLYSIS ALFA CHEMICALS ITALIANA S.P.A. (IT) 1986-11-11 US claimed
EP-0143371-A1 Process for the optical resolution of racemic mixtures of alpha-naphthyl-propionic acids Alfa Chemicals Italiana S.r.l. (IT) 1985-06-05 EP claimed
US-4187196-A REACTING HALOGENATED TITANIUM COMPOUND WITH MAGNESIUM OR MANGANESE DIHALIDE MONTEDISON S.P.A. (IT) 1980-02-05 US claimed
US-4107414-A Process for the stereoregular polymerization of alpha olefins MONTECATINI EDISON S.P.A. (IT) 1978-08-15 US claimed

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-10604520-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL AKR1B1 1940/4885AKR1C3 2024/4885AKR1C2 2477/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL AKR1B1 1940/4885AKR1C3 2024/4885AKR1C2 2477/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL AKR1B1 1940/4885AKR1C3 2024/4885AKR1C2 2477/4885

“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.