SCHEMBL1390787

SCHEMBL1390787

CC(=O)NC(C)c1cc2ccc(OCc3ccc(OC(C)C)cc3)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.51
MAOB P27338 5/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC16A3 O15427 2/20 0.44
ACACB O00763 9/20 0.43
ACACA Q13085 5/20 0.43

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
SCHEMBL1391720 0.94 ACACB (0.46) MAOAMAOBACACBACACA
SCHEMBL12433342 0.91 MAOA (0.53) MAOAMAOBCA12CA1CA2
SCHEMBL1391350 0.89 MAOA (0.51) MAOAMAOBCA12CA1CA2
SCHEMBL1390722 0.89 MAOA (0.64) MAOAMAOBCA12CA1CA2
SCHEMBL1390703 0.87 ACACB (0.46) ACACBACACA
SCHEMBL15157630 0.85 MAOA (0.46) MAOAMAOBSLC16A3ACACB
SCHEMBL1390987 0.85 ACACA (0.62) MAOAACACBACACA
SCHEMBL2318663 0.83 NPC1 (0.49) MAOAMAOBNPC1RAB9AACACB
SCHEMBL12433374 0.83 MAOA (0.46) MAOAMAOBCA12CA1CA2
SCHEMBL1391073 0.82 ACACA (0.57) MAOAMAOBACACBACACA

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 9 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-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
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
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 MAOA 3960/4885MAOB 4207/4885CA12 3758/4885

“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.