SCHEMBL6790718

SCHEMBL6790718

Cc1ccc(C[C@H](C/C=C/C(C)C)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
CYP1A2 P05177 1/20 0.43
MME P08473 3/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6791072 0.88 CYP1A2 (0.59) CYP1A2MME
SCHEMBL5963814 0.87 GRIK1 (0.44) GRIK1GRIK2CYP1A2MMEPPARG
SCHEMBL6789903 0.83 PPARA (0.51) GRIK1GRIK2PPARGPPARA
SCHEMBL2397308 0.81 CYP1A2 (0.48) CYP1A2MMEPPARGPPARAMEN1
SCHEMBL7378715 0.80 CYP1A2 (0.65) CYP1A2PPARGPPARAMEN1KMT2A
SCHEMBL27719461 0.80 CYP1A2 (0.47) CYP1A2MMEPPARGPPARAMEN1
SCHEMBL7436695 0.78 CYP1A2 (0.57) CYP1A2PPARGPPARA
SCHEMBL7436701 0.78 CYP1A2 (0.57) CYP1A2PPARGPPARA
SCHEMBL14571474 0.78 MME (0.47) CYP1A2MMEPPARGPPARA
SCHEMBL11529738 0.75 CYP1A2 (0.59) CYP1A2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use RNASEL, RNASE1, GTF3C3 GRIK1 3932/4885GRIK2 4225/4885CYP1A2 2658/4885
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PCNA, ZC3HAV1, POLR1C GRIK1 3525/4885GRIK2 4032/4885CYP1A2 4849/4885

“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.