SCHEMBL608081

SCHEMBL608081

C#CC(O)c1ccc(-c2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.42
ALOX5 P09917 1/20 0.40
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
ESR2 Q92731 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
FFAR1 O14842 1/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32
CNR1 P21554 2/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL609775 0.85 TP53 (0.47) LMNATP53HTTNPSR1ALDH1A1
SCHEMBL11487860 0.80 TSHR (0.40) AHRALOX5LMNATP53ESR2
SCHEMBL1920526 0.73 TSHR (0.41) LMNATP53ESR2KMT2AATM
SCHEMBL29149887 0.71 KCNH2 (0.40) LMNATP53HTTKMT2ACYP3A4
SCHEMBL136204 0.71 ADRB2 (0.43) LMNAATMALDH1A1TSHRHIF1A
SCHEMBL29413799 0.71 ADRB2 (0.43) LMNAATMALDH1A1TSHRHIF1A
SCHEMBL20512343 0.70 TP53 (0.50) LMNATP53HTTSMN1; SMN2NPSR1
SCHEMBL30073229 0.66 AHR (0.78) AHRALOX5LMNATP53ESR2
SCHEMBL1520954 0.66 AHR (0.78) AHRALOX5LMNATP53ESR2
SCHEMBL7204528 0.65 TSHR (0.40) AHRLMNAESR2HTTKMT2A

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
US-8557828-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-10-15 US disclosed
EP-2500347-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-09-19 EP disclosed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP disclosed
US-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-8076344-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 US disclosed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT AHR 4215/4885ALOX5 774/4885ERCC5 4855/4885
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT AHR 4215/4885ALOX5 774/4885ERCC5 4855/4885

“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.