SCHEMBL2330478

SCHEMBL2330478

CCOP(=O)(O)CC(=O)C1(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
TSHR P16473 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
FFAR3 O14843 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL10477630 0.91 PPARD (0.39) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL10477629 0.77 PPARD (0.39) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL3175318 0.76 PPARD (0.41) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL2361034 0.76 PPARD (0.38) PPARDFNTAFNTBPGGT1BTP53
SCHEMBL2325563 0.73 LMNA (0.45) PPARDTSHR
SCHEMBL7597273 0.71 PPARD (0.52) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL1199775 0.71 PPARD (0.52) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL1549585 0.71 FFAR3 (0.36) FFAR3
SCHEMBL10388124 0.70 PPARD (0.50) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL418898 0.68 PPARD (0.48) PPARDTSHRFNTAFNTBPGGT1B

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
US-8501940-B2 Tetrahydrocinnoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20100016325-A1 TETRAHYDROCINNOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-01-21 US disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 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 (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-20100016325-A1 TETRAHYDROCINNOLINE DERIVATIVES CYP27A1, CYP11B1, DHCR7 PPARD 133/4885TSHR 1465/4885FNTA 1075/4885
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 PPARD 503/4885TSHR 1422/4885FNTA 2767/4885

“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.