SCHEMBL13620527

SCHEMBL13620527

C=C1OB(c2ccc(OC)nc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
NNMT P40261 1/20 0.33
IDH1 O75874 1/20 0.32
CYP2A6 P11509 2/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL12019013 0.82 DGAT1 (0.49) DGAT1
SCHEMBL12314754 0.79 DGAT1 (0.32) DGAT1
SCHEMBL8074045 0.79 NOS3 (0.34)
SCHEMBL12647109 0.79
SCHEMBL14233737 0.79 DGAT1 (0.39) DGAT1
SCHEMBL12647273 0.79 LOX (0.36) IDH1
SCHEMBL29457535 0.79 DGAT1 (0.58) DGAT1NNMT
SCHEMBL837572 0.79 DGAT1 (0.58) DGAT1NNMT
SCHEMBL13100018 0.78 HCAR3 (0.34) DGAT1NNMT
SCHEMBL13081155 0.78 HSPB1 (0.47) DGAT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 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 (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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 DGAT1 77/4885NNMT 2261/4885IDH1 2004/4885

“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.