SCHEMBL2828428

SCHEMBL2828428

Cc1cc(-c2ccccc2)n(Cc2ccc(CO)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
NCOR2 Q9Y618 3/20 0.52
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
SLC16A3 O15427 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2827686 0.84 SLC16A3 (0.45) HDAC6RAB9ANPC1SLC16A3CYP1A2
SCHEMBL3631457 0.83 SMN1; SMN2 (0.56) SLC16A3CYP1A2CYP2C9SMN1; SMN2POLB
SCHEMBL2825591 0.81 GRN (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2225688 0.80 SLC16A3 (0.59) HDAC6SLC16A3SMN1; SMN2POLBMALT1
SCHEMBL3489723 0.79 HDAC6 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2825520 0.78 SMN1; SMN2 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5324718 0.77 NPC1 (0.56) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL8428544 0.76 PTGS2 (0.46) POLBKCNJ6KCNJ5KCNJ3GAA
SCHEMBL3488974 0.76 HDAC6 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5328712 0.74 NPC1 (0.53) RAB9ANPC1DRD2DRD4DRD3

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 HDAC3 1558/4885HDAC4 1391/4885HDAC1 2167/4885

“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.