SCHEMBL6786331

SCHEMBL6786331

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.52
MAPT P10636 3/20 0.52
FFAR1 O14842 2/20 0.52
CYP19A1 P11511 2/20 0.52
ALDH1A1 P00352 1/20 0.52
RXRA P19793 1/20 0.52
OXER1 Q8TDS5 1/20 0.52
FFAR4 Q5NUL3 1/20 0.41
TERT O14746 3/20 0.41
PTPN1 P18031 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
TOP1 P11387 3/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41
FABP4 P15090 2/20 0.41
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL6786335 1.00 PPARG (0.52) PPARGMAPTFFAR1CYP19A1ALDH1A1
SCHEMBL27012327 1.00 PPARG (0.52) PPARGMAPTFFAR1CYP19A1ALDH1A1
SCHEMBL16357053 0.87 PPARG (0.55) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL26317135 0.87 PPARG (0.55) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL21083267 0.87 PPARG (0.55) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL2207906 0.85 PPARG (0.60) PPARGMAPTFFAR1CYP19A1ALDH1A1
SCHEMBL2207902 0.85 PPARG (0.60) PPARGMAPTFFAR1CYP19A1ALDH1A1
SCHEMBL12832483 0.84 MAPT (0.50) PPARGMAPTFFAR1CYP19A1ALDH1A1
SCHEMBL16677847 0.84 MAPT (0.50) PPARGMAPTFFAR1CYP19A1ALDH1A1
SCHEMBL11645940 0.84 PPARG (0.63) PPARGMAPTFFAR1CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136539-A1 ESTERS OF 5-METHYLHEX-2-ENOL AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2025-05-01 US disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PETER DRAGOVICH S (US) 2004-04-15 US disclosed
US-6649639-B2 Inhibit or block the biological activity of the picornaviral 3C protease. DRAGOVICH PETER S (US) 2003-11-18 US disclosed
EP-0975588-B1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2003-09-03 EP disclosed
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use DRAGOVICH PETER S (US) 2002-03-14 US disclosed
US-6331554-B1 PICORNAVIRUS PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-0975588-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2000-02-02 EP disclosed
US-6020371-A VIRICIDES; PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-02-01 US disclosed
WO-1998043950-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 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 (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-20250136539-A1 ESTERS OF 5-METHYLHEX-2-ENOL AND THEIR USE AS AROMA CHEMICALS ENY2, SCD5, NOTUM PPARG 1074/4885MAPT 1579/4885FFAR1 62/4885
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use RNASEL, RNASE1, GTF3C3 PPARG 2219/4885MAPT 1709/4885FFAR1 4543/4885
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PCNA, ZC3HAV1, POLR1C PPARG 3780/4885MAPT 3665/4885FFAR1 4873/4885

“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.