SCHEMBL2344610

SCHEMBL2344610

CC(=O)C(C)CCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.68
GABRP O00591 2/20 0.54
GABRD O14764 2/20 0.54
GABRA1 P14867 2/20 0.54
GABRB1 P18505 2/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
GABRA5 P31644 2/20 0.54
GABRA3 P34903 2/20 0.54
GABRA2 P47869 2/20 0.54
GABRB2 P47870 2/20 0.54
GABRA4 P48169 2/20 0.54
GABRE P78334 2/20 0.54
GABRA6 Q16445 2/20 0.54
GABRG1 Q8N1C3 2/20 0.54
GABRG3 Q99928 2/20 0.54
GABRQ Q9UN88 2/20 0.54
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 2/20 0.44

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
SCHEMBL14197461 1.00 CYP1A2 (0.68) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL12658700 1.00 CYP1A2 (0.68) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL10068076 0.85 CYP1A2 (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL2348647 0.85 CYP1A2 (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL999059 0.83 FFAR4 (0.53) CYP1A2LMNAENPEP
SCHEMBL559468 0.81 FFAR4 (0.57) LMNA
SCHEMBL14093813 0.81 FFAR4 (0.57) LMNA
SCHEMBL304217 0.81 FFAR4 (0.57) LMNA
SCHEMBL28750 0.81 CYP1A2 (1.00) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL791764 0.81 CYP1A2 (1.00) CYP1A2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422224-B2 Methods of treatment using a BCAT1 inhibitor ERGON PHARMACEUTICALS LLC (US) 2016-08-23 US claimed
US-20140128467-A1 METHODS OF TREATMENT USING A BCAT1 INHIBITOR ERGON PHARMACEUTICALS LLC (US) 2014-05-08 US claimed
EP-2717869-A2 METHODS OF TREATMENT USING A BCAT1 INHIBITOR Ergon Pharmaceuticals LLC (US) 2014-04-16 EP claimed
WO-2012173987-A2 METHODS OF TREATMENT USING A BCAT1 INHIBITOR ERGON PHARMACEUTICALS LLC (US) 2012-12-20 WO claimed
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines BOARD OF REGENTS, THE 2002-02-28 US claimed
JP-2000511880-A 2000-09-12 JP claimed
EP-0891364-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-01-20 EP claimed
WO-1997037995-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-10-16 WO claimed
US-4611033-A Process for stabilizing a poly(aryl ether ketone) UNION CARBIDE CORPORATION (US) 1986-09-09 US claimed
JP-2000131-A None JP disclosed
WO-2025003023-A1 METHOD FOR PRODUCING A CARBOXYLIC ACID EVONIK OPERATIONS GMBH (DE) 2025-01-02 WO disclosed
CN-112661639-A Synthesis method of 4-acetylbutyrate compound 浙江工业大学 2021-04-16 CN disclosed
US-9493512-B2 Solution phase processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG (CH) 2016-11-15 US disclosed
US-9464048-B2 5-oxo-ETE receptor antagonist compounds FLORIDA INSTITUTE OF TECHNOLOGY (US) 2016-10-11 US disclosed
EP-0080240-A1 Process for the preparation of a lactam STAMICARBON B.V. (NL) 1983-06-01 EP disclosed
EP-0075372-A1 Process for the preparation of a lactam STAMICARBON B.V. (NL) 1983-03-30 EP disclosed
US-4291170-A A,B-UNSATURATED ESTER, KETONE, PRIMARY AMINE OR SCHIFF BASE, ACID STAMICARBON, B.V. (NL) 1981-09-22 US disclosed
US-4154965-A Process for the preparation of resorcinol or alkylsubstituted derivatives thereof STAMICARBON, B.V. (NL) 1979-05-15 US disclosed
US-4072660-A FROM A 4-OXO-CARBOXYLIC ACID ESTER OR DELTA-ENOL-LACTONE AND STRONG BASE IN GLYCOL DIALKYL ETHER SOLVENT HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed
US-4041049-A CATALYTIC DEHYDRATION AND CYCLIZATION AND CYCLIZATION OF 4-OXOCARBOXYLIC ACIDS HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-09 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-20140128467-A1 METHODS OF TREATMENT USING A BCAT1 INHIBITOR BCAT1, BCAT2, TPT1 CYP1A2 4335/4885GABRP 3182/4885GABRD 3294/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR CYP1A2 3644/4885GABRP 1383/4885GABRD 2025/4885

“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.