SCHEMBL2601967

SCHEMBL2601967

O=C(NCc1ccc(O)c(O)c1)C1CCCN1C(=O)Cc1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.59
ERCC4 Q92889 3/20 0.59
F2 P00734 4/20 0.53
ALDH1A1 P00352 3/20 0.51
PKM P14618 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL108111 0.84 HTT (0.50) ALDH1A1USP2
SCHEMBL6221764 0.83 KDM4E (0.49) ALDH1A1POLB
SCHEMBL6221760 0.83 KDM4E (0.49) ALDH1A1POLB
SCHEMBL107960 0.81 ERCC1 (0.60) ERCC1ERCC4F2ALDH1A1PKM
SCHEMBL145365 0.81 ERCC1 (0.60) ERCC1ERCC4F2ALDH1A1PKM
SCHEMBL21696537 0.79 F2 (0.50) ERCC1ERCC4F2ALDH1A1PKM
SCHEMBL12509105 0.78 ERCC1 (0.55) ERCC1ERCC4F2ALDH1A1PKM
SCHEMBL11761768 0.78 ALPG (0.55) ERCC1ERCC4F2ALDH1A1CYP3A4
SCHEMBL21696657 0.78 PKM (0.54) F2ALDH1A1PKMCYP3A4CYP2C9
SCHEMBL12421634 0.78 ERCC1 (0.55) ERCC1ERCC4F2ALDH1A1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163957-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes and parkinson's disease PROTEOTECH, INC. (US) 2012-04-24 US disclosed
US-8163957-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes and parkinson's disease PROTEOTECH, INC. (US) 2012-04-24 US disclosed
US-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis SNOW ALAN D 2009-08-06 US disclosed
US-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis SNOW ALAN D 2009-08-06 US 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-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis IAPP, APP, SNCA ERCC1 4117/4885ERCC4 4337/4885F2 4121/4885

“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.