SCHEMBL524689

SCHEMBL524689

CC(C)c1cccc(O)c(=O)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
GABRA1 P14867 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP1A2 P05177 3/20 0.64
HIF1A Q16665 3/20 0.64
GABRB2 P47870 2/20 0.64
GABRG2 P18507 2/20 0.64
GABRB3 P28472 2/20 0.64
TSHR P16473 2/20 0.64
BLM P54132 2/20 0.64
LMNA P02545 2/20 0.64
FAAH O00519 1/20 0.64
GABRB1 P18505 1/20 0.64
PTGS1 P23219 1/20 0.64
SLC6A2 P23975 1/20 0.64
HTR2C P28335 1/20 0.64
GABRA5 P31644 1/20 0.64
GABRA3 P34903 1/20 0.64

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
Alpha-Thujaplicin SCHEMBL355645 0.83 GABRA1 (0.67) HPGDCA1CA2GABRA1CYP3A4
SCHEMBL31658451 0.82 GABRA1 (0.76) HPGDCA1CA2GABRA1CYP3A4
SCHEMBL301445 0.82 GABRA1 (0.76) HPGDCA1CA2GABRA1CYP3A4
SCHEMBL23250717 0.82 GABRA1 (0.61) HPGDCA1CA2GABRA1CYP3A4
SCHEMBL23258468 0.80 GABRA1 (0.59) HPGDCA1CA2GABRA1CYP3A4
SCHEMBL23258800 0.80 GABRA1 (0.59) HPGDCA1CA2GABRA1CYP3A4
Propofol SCHEMBL36245 0.79 GABRA1 (1.00) HPGDCA1CA2GABRA1CYP3A4
Propofol SCHEMBL2414429 0.79 GABRA1 (1.00) HPGDCA1CA2GABRA1CYP3A4
SCHEMBL6214964 0.77 GABRA1 (0.55) HPGDCA1CA2GABRA1CYP3A4
SCHEMBL6214960 0.77 GABRA1 (0.48) HPGDCA1CA2GABRA1CYP3A4

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-20130209386-A1 NEW USES EVOCUTIS PLC (GB) 2013-08-15 US disclosed
EP-2598208-A2 NEW USES Evocutis plc (GB) 2013-06-05 EP disclosed
WO-2012172318-A1 FORMULATIONS CONTAINING TROPOLONOIDS, COPPER SALT AND A SOLVENT SYSTEM EVOCUTIS PLC (GB) 2012-12-20 WO disclosed
WO-2012013967-A2 NEW USES SYNTOPIX GROUP PLC (GB) 2012-02-02 WO disclosed
US-20090283473-A1 PLANT MATERIALS EXTRACTION METHOD XYLON BIOTECHNOLOGIES LTD. 2009-11-19 US disclosed
US-20090283473-A1 PLANT MATERIALS EXTRACTION METHOD XYLON BIOTECHNOLOGIES LTD. 2009-11-19 US disclosed
US-20070219141-A1 Plant Materials Extraction Method JONES DAVID 2007-09-20 US disclosed
US-20070219141-A1 Plant Materials Extraction Method JONES DAVID 2007-09-20 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-20070219141-A1 Plant Materials Extraction Method ALPP, PLK4, PGLS HPGD 2415/4885CA1 4688/4885CA2 4227/4885

“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.