SCHEMBL1390703

SCHEMBL1390703

CC(=O)NC(C)c1cc2cc(COc3ccc(OC(C)C)cc3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.46
ACACA Q13085 6/20 0.46
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 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
SCHEMBL1391720 0.91 ACACB (0.46) ACACBACACAPOLBTP53MAPT
SCHEMBL1391226 0.90 NPC1 (0.49) ACACBACACAPOLBTP53MAPT
SCHEMBL1391001 0.88 ACACB (0.50) ACACBACACA
SCHEMBL1390787 0.87 MAOA (0.51) ACACBACACA
SCHEMBL1390871 0.85 NPC1 (0.48) ACACBACACAPOLBMAPTPPARD
SCHEMBL1390566 0.83 FLT3 (0.48) ACACBACACAPPARDPPARA
SCHEMBL15157630 0.83 MAOA (0.46) ACACBPOLBTP53MAPTSMN1; SMN2
SCHEMBL1390599 0.81 ACACB (0.50) ACACBACACAPOLBPPARDPPARA
SCHEMBL2318663 0.81 NPC1 (0.49) ACACBACACAPOLBMAPTSMN1; SMN2
SCHEMBL1390539 0.81 ACACA (0.62) ACACBACACA

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 8 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
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 3/4885ACACA 1/4885POLB 4253/4885

“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.