SCHEMBL2828491

SCHEMBL2828491

COC(=O)CCc1ccc(OCc2ccc(Br)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.71
FFAR4 Q5NUL3 5/20 0.71
MAOB P27338 3/20 0.60
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
IDO1 P14902 1/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
APP P05067 1/20 0.51
MAOA P21397 2/20 0.51
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49

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
SCHEMBL1745363 0.88 FFAR1 (0.58) FFAR1FFAR4MEN1POLBKMT2A
SCHEMBL516422 0.87 IDO1 (0.65) FFAR1FFAR4IDO1MEN1POLB
SCHEMBL1747136 0.87 FFAR1 (0.72) FFAR1FFAR4MAOBPOLB
SCHEMBL1745247 0.87 FFAR1 (0.72) FFAR1FFAR4MAOBPOLB
SCHEMBL15679198 0.87 FFAR1 (0.60) FFAR1FFAR4MAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL16062033 0.86 IDO1 (0.63) FFAR1FFAR4IDO1MEN1POLB
SCHEMBL4255258 0.85 MAOB (0.60) FFAR1FFAR4MAOBADRB2ADRB1
SCHEMBL1745141 0.85 FFAR1 (0.58) FFAR1FFAR4MAOBADRB2ADRB1
SCHEMBL1745397 0.85 FFAR1 (0.58) FFAR1FFAR4POLBADRB2ADRB1
SCHEMBL1743642 0.85 FFAR1 (0.74) FFAR1FFAR4MAOBMAOAMMP2

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 6/4885MAOB 3950/4885

“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.