SCHEMBL4468097

SCHEMBL4468097

CC(C)(C)C(C(=O)O)n1c(Cc2ccco2)ccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 8/20 0.47
MAPT P10636 8/20 0.47
PKM P14618 1/20 0.47
POLB P06746 5/20 0.42
USP2 O75604 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
ALOX15 P16050 3/20 0.41
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL27699451 0.74 KDM4E (0.50) KDM4EALDH1A1HSD17B10MAPTPKM
SCHEMBL4479249 0.74 KDM4E (0.62) KDM4EALDH1A1HSD17B10MAPTPKM
SCHEMBL8269691 0.71 KDM4E (0.52) KDM4EALDH1A1HSD17B10MAPTPKM
SCHEMBL16682789 0.69 CTSS (0.45) KDM4EALDH1A1MAPTPKMPOLB
SCHEMBL16682783 0.69 CTSS (0.45) KDM4EALDH1A1MAPTPKMPOLB
SCHEMBL4496457 0.66 KDM4E (0.52) KDM4EALDH1A1HSD17B10MAPTPOLB
SCHEMBL4483851 0.66 KDM4E (0.49) KDM4EALDH1A1HSD17B10MAPTPKM
SCHEMBL10065456 0.62 CTSS (0.47) ALDH1A1HSD17B10PKMKMT2ASMN1; SMN2
SCHEMBL10065857 0.62 CTSS (0.47) ALDH1A1HSD17B10PKMKMT2ASMN1; SMN2
SCHEMBL19963511 0.60 KMT2A (0.55) KDM4EALDH1A1HSD17B10MAPTPKM

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 3 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
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 KDM4E 1462/4885ALDH1A1 360/4885HSD17B10 933/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 1462/4885ALDH1A1 360/4885HSD17B10 933/4885

“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.