SCHEMBL1390873

SCHEMBL1390873

CCOc1ccc(CCc2ccc3cc(C(C)=O)oc3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.43
ACACB O00763 3/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA4 P22748 4/20 0.40
CA5A P35218 4/20 0.40
CA7 P43166 4/20 0.40
CA5B Q9Y2D0 4/20 0.40
CYP1A2 P05177 2/20 0.40
CA6 P23280 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA2 P00918 3/20 0.39
MAOB P27338 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.38

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
SCHEMBL1390768 0.87 CA9 (0.49) CA9ACACBALDH1A1SMN1; SMN2RAB9A
SCHEMBL2310976 0.83 ACACB (0.42) ACACB
SCHEMBL1391031 0.82 GLA (0.37) CA9ACACBALDH1A1SMN1; SMN2RAB9A
SCHEMBL1390468 0.82 GLA (0.37) CA9ACACBALDH1A1SMN1; SMN2RAB9A
SCHEMBL1391019 0.81 ACACB (0.46) CA9ACACBALDH1A1SMN1; SMN2RAB9A
SCHEMBL21950993 0.80 CA9 (0.59) CA9ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL1390502 0.78 CA9 (0.48) CA9ACACBALDH1A1SMN1; SMN2RAB9A
SCHEMBL1390533 0.78 CA9 (0.51) CA9ACACBALDH1A1SMN1; SMN2RAB9A
SCHEMBL1391532 0.77 POLB (0.53) CA9ACACBALDH1A1SMN1; SMN2RAB9A
SCHEMBL15159397 0.76 GLA (0.36) CA9ACACBALDH1A1SMN1; SMN2RAB9A

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 CA9 1776/4885ACACB 3/4885ALDH1A1 762/4885

“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.