SCHEMBL10061356

SCHEMBL10061356

CC/C(C(=O)/C=C/c1ccc(CNC)cc1OC)=C(O)\C=C\c1ccc(N(C)C)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.49
MMP8 P22894 1/20 0.41
ACHE P22303 1/20 0.40
APP P05067 1/20 0.38
LY96 Q9Y6Y9 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
MMP9 P14780 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL10061348 0.82 BACE1 (0.53) BACE1MMP8ACHEAPPLY96
SCHEMBL10061352 0.78 MMP8 (0.67) MMP8ALDH1A1MAPTMMP9MEN1
SCHEMBL3212534 0.74 BACE1 (0.81) BACE1APPLY96ALDH1A1MAPT
SCHEMBL3212560 0.74 BACE1 (0.81) BACE1APPLY96ALDH1A1MAPT
SCHEMBL10061350 0.72 BACE1 (0.42) BACE1MMP8ACHEALDH1A1MAPT
SCHEMBL10061355 0.69 BACE1 (0.46) BACE1JUNNFKB1ALDH1A1MAPT
SCHEMBL609837 0.69 BACE1 (0.59) BACE1APPLY96ALDH1A1MAPT
SCHEMBL609838 0.69 BACE1 (0.59) BACE1APPLY96ALDH1A1MAPT
SCHEMBL608124 0.68 BACE1 (0.58) BACE1APPJUNNFKB1ALDH1A1
SCHEMBL608125 0.68 BACE1 (0.58) BACE1APPJUNNFKB1ALDH1A1

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 435/4885MMP8 1650/4885ACHE 18/4885

“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.