SCHEMBL3904262

SCHEMBL3904262

CC(CCC(=O)O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.38
EPHX1 P07099 1/20 0.36

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
SCHEMBL9929459 0.83 HSD11B1 (0.34) HSD11B1EPHX1EPHX2L3MBTL1
SCHEMBL3674830 0.74 HPGD (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2093407 0.72 EPHX1 (0.37) HSD11B1EPHX1EPHX2L3MBTL1
SCHEMBL5967361 0.70 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14899039 0.70 EPHX2 (0.46) HSD11B1MAPTEPHX1EPHX2L3MBTL1
SCHEMBL1499930 0.70 EPHX2 (0.46) HSD11B1MAPTEPHX1EPHX2L3MBTL1
SCHEMBL5410703 0.69 EPHX1 (0.33) EPHX1EPHX2L3MBTL1
SCHEMBL3901434 0.67 HSD11B1 (0.57) HSD11B1GABRPGABRDGABRA1GABRB1
SCHEMBL6566358 0.67 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3674042 0.67 ALDH1A1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646383-A4 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7339065-B2 Design and synthesis of optimized ligands for PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2008-03-04 US disclosed
US-20070099969-A1 Design and synthesis of optimized ligands for ppar THE UNIVERSITY OF MISSISSIPPI 2007-05-03 US disclosed
EP-1646383-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR Bethesda Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
WO-2005009437-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2005-02-03 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 (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-20070099969-A1 Design and synthesis of optimized ligands for ppar PPARD, PPARA, PPARG HSD11B1 828/4885GABRP 704/4885GABRD 174/4885

“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.