SCHEMBL3928093

SCHEMBL3928093

CCOP(=O)(O)CC(=O)CCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.32
GRM4 Q14833 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1549162 0.83 PPARD (0.50) PPARDFNTAFNTBPGGT1BTP53
SCHEMBL7714481 0.78 PPARD (0.44) PPARDFNTAFNTBPGGT1BTP53
SCHEMBL3628879 0.76 MAPT (0.42) PPARD
SCHEMBL4936680 0.76 PPARD (0.39) PPARDFNTAFNTBPGGT1BTSHR
SCHEMBL13921035 0.75 PPARD (0.47) PPARDTP53TDP1TSHRGRM4
SCHEMBL4942146 0.75 MAPT (0.46) PPARDTSHR
SCHEMBL3929518 0.75 PPARD (0.41) PPARDFNTAFNTBPGGT1BTP53
SCHEMBL4943149 0.73 PPARD (0.37) PPARDFNTAFNTBPGGT1B
SCHEMBL1549416 0.73 PPARD (0.47) PPARDFNTAFNTBPGGT1BTP53
SCHEMBL10735139 0.72 PPARD (0.39) PPARDFNTAFNTBPGGT1BTSHR

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-2044034-B1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) HOFFMANN LA ROCHE (CH) 2012-08-22 EP disclosed
US-7547697-B2 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-06-16 US disclosed
EP-2044034-A1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
WO-2008003611-A1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) F. HOFFMANN-LA ROCHE AG (CH) 2008-01-10 WO disclosed
US-20080009499-A1 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2008-01-10 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-20080009499-A1 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 PPARD 334/4885FNTA 1883/4885FNTB 1260/4885

“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.