SCHEMBL1390488

SCHEMBL1390488

CCOc1ccc(OCc2ccc3c(C(C)NC(C)=O)coc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.47
ACACA Q13085 3/20 0.46
NPC1 O15118 1/20 0.46
MTNR1A P48039 1/20 0.45
PSMB5 P28074 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL1390694 0.95 MTNR1A (0.47) ACACBACACANPC1MTNR1APSMB5
SCHEMBL7917892 0.89 NPC1 (0.41) ACACBACACANPC1MTNR1APSMB5
SCHEMBL1390614 0.86 ACACB (0.47) ACACBACACANPC1MTNR1APPARD
SCHEMBL1390645 0.85 MTNR1A (0.46) ACACBACACANPC1MTNR1APPARD
SCHEMBL7927004 0.84 MAOB (0.43) ACACBNPC1MTNR1APSMB5PPARD
SCHEMBL1390991 0.84 PPARD (0.40) ACACBACACAMTNR1APPARDPPARA
SCHEMBL1390697 0.83 ACACA (0.60) ACACBACACA
SCHEMBL1391092 0.83 MAOA (0.44) NPC1MTNR1APSMB5PPARDPPARA
SCHEMBL1390564 0.79 TSHR (0.49) NPC1MTNR1APPARDPPARATP53
SCHEMBL2318663 0.79 NPC1 (0.49) ACACBACACANPC1PPARDPPARA

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
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP 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 1/4885NPC1 978/4885

“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.