SCHEMBL2826563

SCHEMBL2826563

CC(C)COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1CN1c2ccccc2CCC1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.44
JUN P05412 2/20 0.44
FFAR1 O14842 17/20 0.42
FFAR4 Q5NUL3 6/20 0.41
AKR1B1 P15121 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL2827546 0.84 FFAR1 (0.55) FFAR1FFAR4AKR1B1RXRARXRB
SCHEMBL2828529 0.82 CHRM2 (0.40)
SCHEMBL2828531 0.75 FFAR1 (0.53) FFAR1FFAR4AKR1B1RXRARXRB
SCHEMBL2825525 0.75 FFAR1 (0.57) FFAR1FFAR4AKR1B1RXRARXRB
SCHEMBL2828430 0.73 FFAR1 (0.48) FOSJUNFFAR1FFAR4AKR1B1
SCHEMBL10689309 0.71 HRH3 (0.58)
SCHEMBL3629943 0.69 FFAR1 (0.44) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL3630898 0.68 FFAR1 (0.44) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL2822720 0.68 FFAR1 (0.55) FFAR1FFAR4AKR1B1
SCHEMBL13894876 0.68 FFAR1 (0.54) FFAR1FFAR4AKR1B1

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 FOS 1888/4885JUN 2858/4885FFAR1 2/4885

“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.