SCHEMBL1390882

SCHEMBL1390882

CCCCOc1ccc(CCc2ccc3cc(C(C)NC(C)=O)oc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.48
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ACACA Q13085 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 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
SCHEMBL1390665 0.96 ACACB (0.52) ACACBALDH1A1NPC1RAB9AACACA
SCHEMBL1391276 0.92 ACACB (0.50) ACACBALDH1A1MEN1NPC1RAB9A
SCHEMBL1391485 0.92 ACACB (0.48) ACACBALDH1A1ACACAPPARDPPARA
SCHEMBL1390529 0.91 ACACB (0.50) ACACBNPC1RAB9AACACAPPARD
SCHEMBL1390731 0.91 ACACB (0.49) ACACBALDH1A1MEN1KMT2AACACA
SCHEMBL1390656 0.89 PPARD (0.41) ACACBALDH1A1ACACAMAOAMAOB
SCHEMBL1391284 0.88 ACACB (0.53) ACACBACACAPPARDPPARA
SCHEMBL1390584 0.87 ACACB (0.50) ACACBACACAMAOA
SCHEMBL1391430 0.87 ACACB (0.52) ACACBALDH1A1ACACA
SCHEMBL1391686 0.87 ACACB (0.43) ACACBACACAMAOAMAOBPPARD

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 ACACB 3/4885ALDH1A1 762/4885MEN1 2828/4885

“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.