SCHEMBL10061348

SCHEMBL10061348

CNCc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(N(C)C)cc2OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.53
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP8 P22894 1/20 0.44
ACHE P22303 1/20 0.43
APP P05067 1/20 0.41
LY96 Q9Y6Y9 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
GSK3B P49841 1/20 0.40
MMP9 P14780 1/20 0.40
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
CAPN1 P07384 1/20 0.39
CTSB P07858 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL608125 0.88 BACE1 (0.58) BACE1ALDH1A1MAPTMEN1KMT2A
SCHEMBL608124 0.88 BACE1 (0.58) BACE1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10061356 0.82 BACE1 (0.49) BACE1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3212534 0.77 BACE1 (0.81) BACE1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3212560 0.77 BACE1 (0.81) BACE1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10061363 0.76 MMP8 (0.74) BACE1MAPTKMT2AMMP8HDAC1
SCHEMBL10061350 0.75 BACE1 (0.42) BACE1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10061367 0.73 MMP9 (0.52) BACE1HDAC1HDAC2HDAC8GSK3B
SCHEMBL609791 0.72 APP (0.67) BACE1ALDH1A1MAPTMEN1KMT2A
SCHEMBL609790 0.72 APP (0.67) BACE1ALDH1A1MAPTMEN1KMT2A

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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG BACE1 435/4885ALDH1A1 1253/4885MAPT 8/4885

“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.