SCHEMBL609535

SCHEMBL609535

C#C[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.38
PGR P06401 1/20 0.30
MAOA P21397 1/20 0.30
OPRK1 P41145 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL612009 1.00 SHBG (0.38) SHBGPGRMAOAOPRK1ALDH1A1
SCHEMBL9118328 1.00 SHBG (0.38) SHBGPGRMAOAOPRK1ALDH1A1
SCHEMBL9118331 1.00 SHBG (0.38) SHBGPGRMAOAOPRK1ALDH1A1
SCHEMBL609797 1.00 SHBG (0.38) SHBGPGRMAOAOPRK1ALDH1A1
SCHEMBL7701721 0.81 L3MBTL1 (0.33)
SCHEMBL9119013 0.78 PLA2G1B (0.31)
SCHEMBL9114377 0.78 PLA2G1B (0.31)
SCHEMBL12231026 0.73 L3MBTL1 (0.30)
SCHEMBL612123 0.73 L3MBTL1 (0.30)
SCHEMBL50283 0.73 L3MBTL1 (0.33) ALDH1A1LMNA

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 6 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
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 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-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT SHBG 4027/4885PGR 2322/4885MAOA 1092/4885
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT SHBG 4027/4885PGR 2322/4885MAOA 1092/4885

“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.