SCHEMBL503628

SCHEMBL503628

COc1ccc([C@@H](O)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
BLM P54132 1/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
LDHA P00338 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PTGS2 P35354 3/20 0.51
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
PTGS1 P23219 2/20 0.51
CYP1A2 P05177 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
ACP3 P15309 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CES2 O00748 1/20 0.48

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
SCHEMBL4634271 1.00 TSHR (0.56) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL503627 1.00 TSHR (0.56) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL15485802 0.98 TSHR (0.54) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL1680972 0.98 TSHR (0.54) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL1891332 0.98 TSHR (0.54) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL11838733 0.94 FFAR1 (0.53) TSHRNPSR1BLMLMNAMAPK1
Alanine SCHEMBL11205694 0.91 GRM8 (0.49) TSHRNPSR1BLMLMNAMAPK1
D-Alanine SCHEMBL11208761 0.91 GRM8 (0.49) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL30967609 0.85 ESR1 (0.58) TSHRNPSR1BLMLMNALDHA
SCHEMBL10757243 0.84 CA1 (0.48) TSHRNPSR1LDHACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113355367-B Application of ketoacid reductase in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2024-03-26 CN claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-113355299-B Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2022-05-24 CN claimed
CN-113355299-A Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-09-07 CN claimed
CN-113355367-A Application of ketoacid reductase in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-09-07 CN claimed
CN-109467502-B Method for splitting mandelic acid compound enantiomer 湖南科技大学 2021-07-30 CN claimed
CN-108410831-B Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-07-27 CN claimed
EP-3141284-B1 METHOD OF STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN ACID DERIVATIVE OREAL (FR) 2019-08-28 EP claimed
CN-108410831-A Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2018-08-17 CN claimed
EP-2029237-B1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN ACID DERIVATIVE ORÉAL L (FR) 2016-10-12 EP claimed
EP-2217093-B1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2012-03-21 EP claimed
US-20100300471-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN ACID DERIVATIVE L'OREAL S.A. (FR) 2010-12-02 US claimed
EP-2217093-A1 FLAVOUR-MODULATING COMPOUNDS Givaudan SA (CH) 2010-08-18 EP claimed
WO-2009055953-A1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2009-05-07 WO claimed
EP-2055196-A1 Sweet flavour modulating carboxyalkyl-substituted phenyl derivatives Givaudan SA (CH) 2009-05-06 EP claimed
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US claimed
US-5589277-A INK JET PRINTING, AQUEOUS INKS, FAST DRYING XEROX CORPORATION (US) 1996-12-31 US claimed
EP-0667246-A1 Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds XEROX CORPORATION (US) 1995-08-16 EP claimed
EP-0482594-A1 Tylosin derivative and method for preparing the same MERCIAN CORPORATION (JP) 1992-04-29 EP claimed
EP-0273202-A2 Use of hydroxycarboxylic acids to enhance therapeutic effects of topical compositions for fungal infections and pigmented spots. Van Scott, Eugene J., Dr. (US) 1988-07-06 EP 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 (1 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-20100300471-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN ACID DERIVATIVE KRT18, KLK5, HOGA1 TSHR 4672/4885NPSR1 4620/4885BLM 4293/4885

“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.