SCHEMBL2318663

SCHEMBL2318663

CCOc1ccc(OCc2ccc3cc(C(C)NC(C)=O)oc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
ACACB O00763 11/20 0.48
ACACA Q13085 2/20 0.47
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
MAOA P21397 3/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 4/20 0.42

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
SCHEMBL1391350 0.94 MAOA (0.51) NPC1ACACBACACAPPARDPPARA
SCHEMBL1390584 0.91 ACACB (0.50) ACACBACACAMAOA
SCHEMBL15157576 0.91 NPC1 (0.49) NPC1MAOARAB9AMAPTKDM4E
SCHEMBL1390529 0.91 ACACB (0.50) NPC1ACACBACACAPPARDPPARA
SCHEMBL1391226 0.91 NPC1 (0.49) NPC1ACACBACACAPPARDPPARA
SCHEMBL1391720 0.90 ACACB (0.46) ACACBACACAPPARDPPARAMAOA
SCHEMBL1390937 0.89 MAOB (0.51) NPC1ACACBACACAMAOARAB9A
SCHEMBL1390871 0.88 NPC1 (0.48) NPC1ACACBACACAPPARDPPARA
SCHEMBL2315489 0.86 NPC1 (0.45) NPC1ACACBMAOARAB9AMAPT
SCHEMBL1391325 0.86 MAOA (0.43) NPC1ACACBACACAMAOAMAOB

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 7 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
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 NPC1 978/4885ACACB 3/4885ACACA 1/4885

“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.