SCHEMBL13065062

SCHEMBL13065062

O=C(O)CCc1ccc(OCc2ccc(CN3CCCc4ccccc43)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.58
FFAR4 Q5NUL3 6/20 0.58
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
RXRG P48443 2/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
HRH3 Q9Y5N1 3/20 0.51
HDAC8 Q9BY41 1/20 0.51
AKR1B1 P15121 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL2827678 0.95 FFAR1 (0.53) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL2827682 0.85 HDAC1 (0.47) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13887168 0.84 HDAC1 (0.62) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13065078 0.82 HDAC1 (0.56) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL10686504 0.81 HRH3 (0.60) HRH3
SCHEMBL13312151 0.80 RXRB (0.61) FFAR1FFAR4RXRARXRBRXRG
Trifluoroacetic Acid SCHEMBL2828565 0.80 HDAC1 (0.57) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL2824405 0.80 FFAR1 (0.56) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL17455142 0.79 FFAR1 (0.70) FFAR1
SCHEMBL17455146 0.79 FFAR1 (0.70) FFAR1

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
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-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

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 6/4885RXRA 528/4885

“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.