SCHEMBL258372

SCHEMBL258372

O=C(O)CCC(O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
CPA3 P15088 1/20 0.48
BCAT2 O15382 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
AOC3 Q16853 3/20 0.45
KEAP1 Q14145 1/20 0.45

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
SCHEMBL991988 1.00 RIPK1 (0.52) RIPK1LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL8107873 1.00 RIPK1 (0.52) RIPK1LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL8742857 0.89 HDAC3 (0.50) RIPK1LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL2743315 0.89 HDAC3 (0.50) RIPK1LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL7345068 0.88 FFAR1 (0.52) LMNAALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL27820361 0.88 TBXAS1 (0.55) RIPK1LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL27585172 0.88 TBXAS1 (0.55) RIPK1LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL9308449 0.86 TBXAS1 (0.58) RIPK1SMN1; SMN2MAPK1
SCHEMBL6907990 0.86 TBXAS1 (0.58) RIPK1SMN1; SMN2MAPK1
SCHEMBL6907995 0.86 TBXAS1 (0.58) RIPK1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299441-A A kind of preparation method of ticagrelor 于天荣 2018-07-20 CN claimed
CN-105777546-B A kind of preparation method of lisinopril intermediate 苏州引航生物科技有限公司 2018-01-09 CN claimed
CN-103167800-A Ready-to-use ketorolac injection RTU PHARMACEUTICALS LLC 2013-06-19 CN claimed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
US-6028224-A Fluoxetine process from benzoylpropionic acid SEPRACOR INC. (US) 2000-02-22 US claimed
WO-1999067196-A1 FLUOXETINE PROCESS FROM BENZOYLPROPIONIC ACID SEPRACOR INC. (US) 1999-12-29 WO claimed
US-5936124-A Fluoxetine process from benzoylpropionic acid SEPACOR INC. (US) 1999-08-10 US claimed
EP-0280285-A2 Process for making and isolating (R)-2-hydroxy 4-phenylbutyric acid and esters MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-31 EP claimed
JP-2142724-A None JP disclosed
JP-2119785-A None JP disclosed
US-12295394-B2 Water-soluble additive composition SUMITOMO BAKELITE CO., LTD. (JP) 2025-05-13 US disclosed
WO-2025025244-A1 LIGHT-EMITTING APPARATUS, PREPARATION METHOD AND ELECTRONIC DEVICE 纳晶科技股份有限公司 2025-02-06 WO disclosed
EP-0329156-A1 Process for the optical resolution of (+-)-2-hydroxy-4-phenylbutanoic acid KURARAY CO., LTD. (JP) 1989-08-23 EP disclosed
EP-0329156-A1 Process for the optical resolution of (+-)-2-hydroxy-4-phenylbutanoic acid KURARAY CO., LTD. (JP) 1989-08-23 EP disclosed
EP-0280285-A2 Process for making and isolating (R)-2-hydroxy 4-phenylbutyric acid and esters MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-31 EP disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 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 (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-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 RIPK1 4872/4885LMNA 2279/4885ALDH1A1 590/4885

“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.