SCHEMBL3529929

SCHEMBL3529929

COC(=O)CC(=O)CCCCBr

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
LMNA P02545 4/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 3/20 0.37
KMT2A Q03164 1/20 0.36
HAO1 Q9UJM8 1/20 0.35

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
SCHEMBL10705661 0.98 TSHR (0.50) TSHRLMNAALDH1A1RECQLHSD17B10
SCHEMBL3526699 0.98 TSHR (0.50) TSHRLMNAALDH1A1RECQLHSD17B10
SCHEMBL3266395 0.89 TSHR (0.67) TSHRLMNAALDH1A1RECQLHSD17B10
SCHEMBL8196189 0.86 TSHR (0.64) TSHRLMNAALDH1A1RECQLHSD17B10
SCHEMBL207773 0.86
SCHEMBL16719251 0.84 TSHR (0.67) TSHRLMNAALDH1A1RECQLPOLB
SCHEMBL1285241 0.84 TSHR (0.67) TSHRLMNAALDH1A1RECQLPOLB
SCHEMBL1115015 0.84 TSHR (0.67) TSHRLMNAALDH1A1RECQLPOLB
SCHEMBL1365853 0.84 TSHR (0.67) TSHRLMNAALDH1A1RECQLPOLB
SCHEMBL1365242 0.84 TSHR (0.67) TSHRLMNAALDH1A1RECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101243050-B Pyrazolone derivatives HOFFMANN LA ROCHE 2012-07-04 CN disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
CN-101243050-A Pyrazolone derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 CN 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 TSHR 1762/4885LMNA 3846/4885ALDH1A1 105/4885

“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.