SCHEMBL1745452

SCHEMBL1745452

CC(C)(C)OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.67
BACE1 P56817 4/20 0.67
MAOB P27338 2/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PPARG P37231 1/20 0.58
PPARA Q07869 1/20 0.58
SLC5A1 P13866 1/20 0.57
SLC5A2 P31639 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
APP P05067 1/20 0.56
LMNA P02545 1/20 0.54
CA12 O43570 1/20 0.53
AKR1B10 O60218 1/20 0.53

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
SCHEMBL19079051 1.00 GSK3B (0.67) GSK3BBACE1MAOBABCG2NPC1
SCHEMBL5947111 1.00 GSK3B (0.67) GSK3BBACE1MAOBABCG2NPC1
SCHEMBL5947430 0.95 GSK3B (0.59) GSK3BBACE1MAOBABCG2NPC1
SCHEMBL5947426 0.95 GSK3B (0.59) GSK3BBACE1MAOBABCG2NPC1
SCHEMBL13845317 0.86 PPARG (0.49) GSK3BBACE1MAOBABCG2NPC1
SCHEMBL2776601 0.85 GSK3B (0.76) GSK3BBACE1MAOBABCG2NPC1
SCHEMBL2776603 0.85 GSK3B (0.76) GSK3BBACE1MAOBABCG2NPC1
SCHEMBL8895796 0.85 KDM4E (0.55) GSK3BBACE1MAOBPPARGPPARA
SCHEMBL8168849 0.85 KDM4E (0.55) GSK3BBACE1MAOBPPARGPPARA
SCHEMBL19079050 0.84 P4HTM (0.51) GSK3BBACE1MAOBABCG2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20060135613-A1 Carboxamides derivatives BAYER HEALTHCARE AG (DE) 2006-06-22 US disclosed
CN-1735408-A Receptor function controlling agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-15 CN disclosed
EP-1515942-A1 CARBOXAMIDES DERIVATIVES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2003106403-A1 CARBOXAMIDES DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-12-24 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 (2 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-20060135613-A1 Carboxamides derivatives BPHL, HRH2, HRH4 GSK3B 4456/4885BACE1 1566/4885MAOB 2795/4885
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives GPR119, GPR55, GLP1R GSK3B 4375/4885BACE1 2100/4885MAOB 4637/4885

“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.