SCHEMBL2822604

SCHEMBL2822604

O=C(O)CCc1ccc(OCc2ccc(Cn3cc(CCc4ccccc4)c(-c4ccc(F)cc4)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.56
FFAR4 Q5NUL3 8/20 0.56
AKR1B1 P15121 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL5377099 0.88 FFAR1 (0.56) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5381126 0.88 PTGDR2 (0.48) FFAR1FFAR4HDAC1HDAC7PPARD
SCHEMBL16381990 0.85 HRH3 (0.40) FFAR1FFAR4HDAC1HDAC7
SCHEMBL5381994 0.84 KMT2A (0.44) FFAR1FFAR4HDAC1HDAC7
SCHEMBL5385908 0.84 FFAR1 (0.49) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5373709 0.83 FFAR1 (0.61) FFAR1AKR1B1
SCHEMBL7549149 0.82 GPR34 (0.43) HDAC1HDAC7
SCHEMBL5387558 0.80 ALDH1A1 (0.51) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5380307 0.80 FFAR1 (0.64) FFAR1PPARD
SCHEMBL5380946 0.80 CYP19A1 (0.44)

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-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
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.