SCHEMBL1390504

SCHEMBL1390504

CCOc1ccc(OCc2ccc3[nH]c(C(C)NC(C)=O)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ACACA Q13085 2/20 0.46
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
NPC1 O15118 1/20 0.42
PRCP P42785 1/20 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
SCHEMBL1390595 0.95 MEN1 (0.48) ACACBMEN1HTTKMT2AACACA
SCHEMBL15158092 0.93 MEN1 (0.46) ACACBMEN1HTTKMT2ANPC1
SCHEMBL7927048 0.88 PTPN1 (0.49) ACACBMEN1HTTKMT2ANPC1
SCHEMBL1390735 0.84 ACACB (0.53) ACACBACACAPPARDPPARAPRCP
SCHEMBL7928944 0.82 MEN1 (0.49) MEN1HTTKMT2A
Hydrochloric Acid SCHEMBL1391135 0.81 MEN1 (0.48) MEN1HTTKMT2ANPC1
SCHEMBL2312943 0.80 ACACB (0.46) ACACBACACAPPARDPPARANPC1
SCHEMBL1390854 0.79 MEN1 (0.43) MEN1HTTKMT2APPARANPC1
SCHEMBL1391382 0.78 ACACB (0.50) ACACBMEN1KMT2AACACAPPARD
SCHEMBL15158191 0.77 KDM4E (0.49) ACACBPRCP

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-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ACACB 3/4885MEN1 2828/4885HTT 1901/4885

“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.