SCHEMBL1879467

SCHEMBL1879467

CC(C)C=CC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL5390239 1.00 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2543491 0.84 HDAC3 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10445585 0.84 HDAC3 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31188738 0.83 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31664245 0.81 PPARG (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7690756 0.80 DGAT1 (0.31) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL7690761 0.80 DGAT1 (0.31) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL43764 0.80 HCAR2 (0.45) DGAT1ELANEHDAC1HDAC2HDAC6
SCHEMBL375029 0.80 HCAR2 (0.45) DGAT1ELANEHDAC1HDAC2HDAC6
SCHEMBL43004 0.80 HCAR2 (0.45) DGAT1ELANEHDAC1HDAC2HDAC6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743175-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Aconcagua Bio, Inc. (US) 2026-05-20 EP disclosed
US-20250051355-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO, INC. 2025-02-13 US disclosed
WO-2025015269-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO, INC. (US) 2025-01-16 WO disclosed
EP-2857427-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME TOSOH CORP (JP) 2020-01-08 EP disclosed
EP-2857427-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME Tosoh Corporation (JP) 2015-04-08 EP disclosed
EP-1666440-B1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-01-22 EP disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
US-7291752-B2 Production method of β-amino acid AJINOMOTO CO., INC. (JP) 2007-11-06 US disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 EP disclosed
US-20040210064-A1 Production method of beta-amino acid AJINOMOTO CO., INC. (JP) 2004-10-21 US disclosed
EP-0736031-B1 IMPROVEMENTS IN OR RELATING TO CHIRAL SYNTHESES OXFORD ASYMMETRY INTERNATIONAL (GB) 2000-05-03 EP disclosed
US-6037498-A Chiral syntheses OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 2000-03-14 US disclosed
EP-0736031-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL SYNTHESES OXFORD ASYMMETRY LIMITED (GB) 1996-10-09 EP disclosed
WO-1995018134-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL SYNTHESES OXFORD ASYMMETRY LIMITED (GB) 1995-07-06 WO 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 (4 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-20040210064-A1 Production method of beta-amino acid BCAT2, BCAT1, AADAT GABRP 221/4885GABRD 1297/4885GABRA1 338/4885
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA GABRP 3830/4885GABRD 3078/4885GABRA1 1365/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA GABRP 3830/4885GABRD 3078/4885GABRA1 1365/4885
US-20250051355-A1 COMPOUNDS, COMPOSITIONS, AND METHODS IAPP, GIPR, GPR119 GABRP 528/4885GABRD 462/4885GABRA1 644/4885

“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.