SCHEMBL2825591

SCHEMBL2825591

CC(C)(C)c1cc(-c2ccccc2)n(Cc2ccc(CO)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.56
SORT1 Q99523 5/20 0.56
SLC16A3 O15427 5/20 0.49
NPSR1 Q6W5P4 4/20 0.46
MAPT P10636 3/20 0.45
MAPK1 P28482 3/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
AGTR1 P30556 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL6008148 0.83 GRN (0.52) GRNSORT1SLC16A3NPSR1MAPT
SCHEMBL2828428 0.81 HDAC3 (0.52) SLC16A3MAPTGAAALDH1A1HDAC3
SCHEMBL2827686 0.80 SLC16A3 (0.45) SLC16A3MAPTMAPK1GAAALDH1A1
SCHEMBL3631457 0.80 SMN1; SMN2 (0.56) SLC16A3MAPTMAPK1GAACYP1A2
SCHEMBL3631800 0.80 GRN (0.50) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL2825530 0.78 HTR2A (0.54) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL2828245 0.77 GRN (0.49) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL2225688 0.76 SLC16A3 (0.59) GRNSORT1SLC16A3GAAALDH1A1
SCHEMBL2225699 0.76 SLC16A3 (0.50) GRNSORT1SLC16A3NPSR1MAPT
SCHEMBL20933027 0.75 GRN (0.63) GRNSORT1NPSR1MAPTMAPK1

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 17 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-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 GRN 2472/4885SORT1 692/4885SLC16A3 124/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 GRN 2970/4885SORT1 1075/4885SLC16A3 229/4885

“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.