SCHEMBL3451880

SCHEMBL3451880

O=C(O)C[C@@H]1CCc2cc(OCc3ccc(OCC4CC4)cc3)ccc2C1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.72
ITGA2B P08514 3/20 0.72
FFAR1 O14842 2/20 0.54
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 3/20 0.51
FAAH O00519 7/20 0.48
BACE1 P56817 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
CYP26A1 O43174 1/20 0.46
CYP2D6 P10635 1/20 0.45
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
DGAT1 O75907 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
SCHEMBL4623073 0.88 ITGB3 (0.74) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL3450818 0.87 ITGB3 (0.72) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL4622244 0.83 ITGB3 (0.68) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL7303640 0.83 ITGB3 (0.70) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL7347857 0.81 ITGB3 (0.64) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL4621952 0.81 ITGB3 (0.64) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL7300961 0.80 ITGB3 (0.92) ITGB3ITGA2BRXRARXRBRXRG
SCHEMBL7300901 0.79 ITGB3 (0.61) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL8728467 0.78 ITGB3 (0.60) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL7305023 0.77 ITGB3 (0.71) ITGB3ITGA2BFFAR1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 US disclosed
EP-1630152-A1 CONDENSED RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-03-01 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-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR ITGB3 4010/4885ITGA2B 3725/4885FFAR1 93/4885

“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.