SCHEMBL14035629

SCHEMBL14035629

O=CCn1c(-c2ccccc2)ccc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.47
BCL2L1 Q07817 1/20 0.47
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
BACE1 P56817 3/20 0.41
CTSD P07339 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAPK1 P28482 2/20 0.37
XBP1 P17861 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8446905 0.79 ALDH1A1 (0.49) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL8446966 0.77 ALDH1A1 (0.52) MMP3BCL2L1KDM4EKMT2AALDH1A1
SCHEMBL8443800 0.75 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL8446328 0.74 EPHX2 (0.57) HPGDLMNARAB9AMAPK1NPC1
SCHEMBL8446811 0.73 NPC1 (0.48) HPGDBACE1RAB9ANPC1GAA
SCHEMBL4476506 0.71 KDM4E (0.63) KDM4EKMT2AALDH1A1HPGDHSD17B10
Acetaldehyde SCHEMBL9812963 0.69 MMP3 (0.71) MMP3BCL2L1KMT2AMEN1MAPT
SCHEMBL6279507 0.68 MMP3 (0.46) MMP3BCL2L1KDM4EKMT2AALDH1A1
SCHEMBL7865208 0.67 MMP3 (1.00) MMP3BCL2L1KMT2AALDH1A1MEN1
SCHEMBL38273 0.67 MMP3 (1.00) MMP3BCL2L1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP MMP3 433/4885BCL2L1 368/4885KDM4E 1462/4885

“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.