SCHEMBL4051369

SCHEMBL4051369

O=C(O)COc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
FFAR1 O14842 1/20 0.47
PPARA Q07869 1/20 0.47
KEAP1 Q14145 1/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
FABP4 P15090 3/20 0.46
GPR119 Q8TDV5 4/20 0.46
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
FABP3 P05413 1/20 0.44

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
SCHEMBL4054158 0.88 GPR119 (0.49) HSD17B10KDM4EALDH1A1HPGDGPR119
SCHEMBL13608518 0.86 GPR119 (0.51) HSD17B10KDM4EALDH1A1HPGDGPR119
SCHEMBL4052985 0.85 ALDH1A1 (0.60) HSD17B10KDM4EALDH1A1HPGDGPR119
SCHEMBL4054658 0.84 GPR119 (0.58) HSD17B10KDM4EALDH1A1HPGDGPR119
SCHEMBL418614 0.83 KEAP1 (0.56) PPARDKEAP1HSD17B10KDM4EALDH1A1
SCHEMBL4055618 0.83 FFAR1 (0.50) PPARDFFAR1PPARAHSD17B10KDM4E
SCHEMBL4050933 0.82 ALOX5 (0.47) HSD17B10KDM4EALDH1A1HPGDGPR119
SCHEMBL2493344 0.82 HSD17B10 (0.58) PPARDFFAR1PPARAHSD17B10KDM4E
SCHEMBL4056908 0.82 MAPT (0.53) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL4057880 0.82 MCL1 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B PPARD 4320/4885FFAR1 3632/4885PPARA 3864/4885

“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.