SCHEMBL4922146

SCHEMBL4922146

COC(=O)[C@@H]1CC[C@H]1C(=O)c1ccc(Br)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
DAO P14920 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GSK3B P49841 2/20 0.40
PPARG P37231 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4922141 1.00 HPGD (0.47) HPGDALDH1A1CES2CES1MAPK1
SCHEMBL30335078 0.74 KDM1A (0.39) HPGDALDH1A1CES2CES1MAPK1
SCHEMBL23380322 0.74 KDM1A (0.39) HPGDALDH1A1CES2CES1MAPK1
SCHEMBL22870390 0.73 CES2 (0.57) HPGDALDH1A1CES2CES1DAO
SCHEMBL1748118 0.73 SMN1; SMN2 (0.50) ALDH1A1CES2CES1MAPK1SMN1; SMN2
SCHEMBL1748117 0.73 SMN1; SMN2 (0.50) ALDH1A1CES2CES1MAPK1SMN1; SMN2
SCHEMBL70702 0.71 DAO (0.63) HPGDALDH1A1CES2CES1MAPK1
SCHEMBL9978295 0.70 HPGD (0.58) HPGDALDH1A1CES2CES1DAO
SCHEMBL8355491 0.70 CHRM2 (0.52) MAPK1HSD17B10CYP3A4CYP1A2CYP2D6
SCHEMBL8226507 0.70 CHRM2 (0.52) MAPK1HSD17B10CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES 2008-03-13 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-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme DGAT1, DGAT2, DLAT HPGD 1601/4885ALDH1A1 336/4885CES2 554/4885

“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.