SCHEMBL2824889

SCHEMBL2824889

COC(=O)CCc1ccc(OCc2cccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.48
FFAR4 Q5NUL3 2/20 0.47
AKR1B1 P15121 1/20 0.47
VDR P11473 1/20 0.43
PPARD Q03181 1/20 0.43
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 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
SCHEMBL2827574 0.91 FFAR1 (0.59) FFAR1FFAR4AKR1B1NR1H2NR1H3
SCHEMBL2828517 0.85 FFAR1 (0.53) FFAR1FFAR4AKR1B1VDRPPARD
SCHEMBL3899755 0.82 NR1H2 (0.47) PPARDNR1H2NR1H3
SCHEMBL2824084 0.81 FFAR1 (0.54) FFAR1FFAR4AKR1B1VDRPPARD
SCHEMBL2827651 0.81 FFAR1 (0.50) FFAR1FFAR4AKR1B1VDRPPARD
SCHEMBL1745196 0.79 FFAR1 (0.63) FFAR1FFAR4AKR1B1
SCHEMBL2827839 0.78 ABL1 (0.46) NR1H2NR1H3
SCHEMBL1744991 0.77 FFAR1 (0.77) FFAR1FFAR4AKR1B1
SCHEMBL1179548 0.76 SRD5A2 (0.53) PPARD
SCHEMBL1745049 0.76 FFAR1 (0.64) FFAR1FFAR4AKR1B1VDRPPARD

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
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 FFAR1 2/4885FFAR4 6/4885AKR1B1 444/4885

“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.