SCHEMBL4139331

SCHEMBL4139331

CCOC(=O)C(CC1CCC1)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
METAP2 P50579 2/20 0.35
CYP2D6 P10635 1/20 0.34
CTSK P43235 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8784684 0.95 METAP2 (0.40) L3MBTL1ALDH1A1METAP2CYP2D6CTSK
SCHEMBL4138474 0.93 ALDH1A1 (0.38) L3MBTL1ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL1009487 0.91 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAHSD17B10METAP2
SCHEMBL16732371 0.87 METAP2 (0.40) L3MBTL1ALDH1A1METAP2CYP2D6CTSK
SCHEMBL11021965 0.85 METAP2 (0.43) L3MBTL1ALDH1A1METAP2CTSKNPSR1
SCHEMBL4425794 0.85 METAP2 (0.43) L3MBTL1ALDH1A1METAP2CTSKNPSR1
SCHEMBL16621534 0.84 ALOX5 (0.35) CTSK
SCHEMBL9219750 0.83 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL4713295 0.82 METAP2 (0.41) ALDH1A1LMNAMETAP2CTSKNPSR1
SCHEMBL25381770 0.79 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAHSD17B10TSHR

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
CN-101360498-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2009-02-04 CN disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB L3MBTL1 4809/4885ALDH1A1 4674/4885LMNA 1316/4885

“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.