SCHEMBL5539005

SCHEMBL5539005

COC(=O)Cc1ccc(-c2ccc(O)c(C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
HSP90AB1 P08238 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B1 P14061 6/20 0.46
HSD17B2 P37059 6/20 0.46
HCAR2 Q8TDS4 1/20 0.46
ESR2 Q92731 2/20 0.44
ESR1 P03372 1/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MCL1 Q07820 2/20 0.41

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
SCHEMBL2127019 0.87 GAA (0.68) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL30096935 0.87 GAA (0.68) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL14418901 0.83 L3MBTL1 (0.51) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL5536197 0.83 ALDH1A1 (0.56) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL15804409 0.80 CYP4F2 (0.59) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL5537387 0.78 HSP90AB1 (0.57) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL3357146 0.78 GAA (0.55) ALDH1A1GAACYP4F2CYP4A11NPC1
SCHEMBL4113212 0.77 CYP4F2 (0.76) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL334348 0.77 GAA (0.63) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL3668882 0.76 GAA (0.72) ALDH1A1GAAGFERCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 EP disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-7273861-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-09-25 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ALDH1A1 277/4885GAA 808/4885GFER 4127/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ALDH1A1 272/4885GAA 808/4885GFER 3977/4885

“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.