SCHEMBL5534578

SCHEMBL5534578

CC(C)(C)OC(=O)C=C1CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 0.67
HDAC2 Q92769 1/20 0.38
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
DEGS1 O15121 1/20 0.35
NAMPT P43490 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
SCHEMBL3672218 0.86 ESR2 (0.51) ESR2CYP2C9NAMPT
SCHEMBL10147933 0.86 ESR2 (0.51) ESR2CYP2C9NAMPT
SCHEMBL664682 0.84 ESR2 (0.49) ESR2
SCHEMBL382783 0.84 ESR2 (0.72) ESR2HDAC2ESR1CYP3A4CYP2C9
SCHEMBL25447088 0.83 ESR2 (0.48) ESR2NAMPT
SCHEMBL601877 0.81 ESR2 (0.61) ESR2ESR1CYP3A4CYP2C9
SCHEMBL10188554 0.81 ESR2 (1.00) ESR2ESR1CYP3A4CYP2C9
SCHEMBL18257858 0.79 ESR2 (0.65) ESR2HDAC2ESR1CYP3A4CYP2C9
SCHEMBL2257887 0.77 ESR2 (0.62) ESR2HDAC2ESR1CYP3A4CYP2C9
SCHEMBL7312356 0.76 ESR2 (0.36) ESR2

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 8 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

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 ESR2 3064/4885HDAC2 978/4885ESR1 4104/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ESR2 3055/4885HDAC2 1003/4885ESR1 4117/4885

“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.