SCHEMBL4481930

SCHEMBL4481930

CCCC1CCC(C(=O)C(C(=O)OCC)C(=O)OCC)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
METAP2 P50579 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4940887 0.88 SOAT1 (0.41) L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL942071 0.80 ALDH1A1 (0.46) L3MBTL1HPGDALDH1A1KMT2AMEN1
SCHEMBL8991774 0.79 MAPT (0.49) CYP2C9POLBALDH1A1MAPTKMT2A
SCHEMBL1085238 0.79 ALDH1A1 (0.38) L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL8991772 0.79 MAPT (0.49) CYP2C9POLBALDH1A1MAPTKMT2A
SCHEMBL10479620 0.77 MAPT (0.47) CYP2C9POLBALDH1A1MAPTKMT2A
SCHEMBL3189910 0.77 MAPT (0.47) CYP2C9POLBALDH1A1MAPTKMT2A
SCHEMBL10479615 0.77 MAPT (0.47) CYP2C9POLBALDH1A1MAPTKMT2A
SCHEMBL3189915 0.77 MAPT (0.47) CYP2C9POLBALDH1A1MAPTKMT2A
SCHEMBL24760376 0.77 TP53 (0.44) TP53CYP2C9POLBHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 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 (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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP TP53 2793/4885CYP2C9 1152/4885L3MBTL1 3911/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP TP53 2793/4885CYP2C9 1152/4885L3MBTL1 3911/4885

“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.