SCHEMBL3575678

SCHEMBL3575678

CCCCCOB(O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 2/20 0.35
GBA1 P04062 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
USP2 O75604 1/20 0.33
LPAR3 Q9UBY5 6/20 0.32
LPAR2 Q9HBW0 5/20 0.32
LPAR1 Q92633 2/20 0.32
CES1 P23141 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL17333189 0.72 CA12 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL170051 0.72
Ammonia Solution, Strong SCHEMBL2792659 0.70 CA12 (0.39) HTTMEN1THRBKMT2AMAPT
SCHEMBL1554117 0.70 THRB (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL3648395 0.70 THRB (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL23302194 0.70 THRB (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL10632891 0.70 THRB (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL4190029 0.70 THRB (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL18279953 0.70 THRB (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL4920757 0.70 THRB (0.44) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 HTT 4405/4885MEN1 1683/4885THRB 751/4885

“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.