SCHEMBL2825530

SCHEMBL2825530

CC(C)(C)c1cc(OCc2ccccc2)n(Cc2ccc(CO)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
GRN P28799 4/20 0.53
SORT1 Q99523 4/20 0.53
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
ACHE P22303 3/20 0.46
GAA P10253 5/20 0.46
NPSR1 Q6W5P4 5/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
AGTR1 P30556 1/20 0.46
RECQL P46063 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL2829966 0.84 GRN (0.53) HTR2AHTR2CSLC6A4GRNSORT1
SCHEMBL2828535 0.82 GRN (0.40) HTR2AHTR2CSLC6A4GRNSORT1
SCHEMBL10080823 0.80 HTR2C (0.71) HTR2AHTR2CSLC6A4GRNSORT1
SCHEMBL2828245 0.80 GRN (0.49) GRNSORT1GAANPSR1MAPT
SCHEMBL2828536 0.79 GAA (0.53) HTR2AHTR2CSLC6A4GRNSORT1
SCHEMBL2825591 0.78 GRN (0.56) GRNSORT1GAANPSR1MAPT
SCHEMBL2823942 0.77 FFAR1 (0.50) GRNSORT1GAAALDH1A1RECQL
SCHEMBL2822493 0.77 FFAR1 (0.49) GRNSORT1GAAALDH1A1RECQL
SCHEMBL2822494 0.75 GRN (0.43) HTR2AHTR2CSLC6A4GRNSORT1
SCHEMBL3631800 0.74 GRN (0.50) GRNSORT1CNR1CNR2GAA

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 16 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-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 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-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 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
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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 (2 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 HTR2A 1115/4885HTR2C 2744/4885SLC6A4 1102/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 HTR2A 570/4885HTR2C 1652/4885SLC6A4 745/4885

“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.