SCHEMBL10061350

SCHEMBL10061350

CNCc1ccc(/C=C2\CCC/C(=C(O)\C=C\c3ccc(N(C)C)cc3OC)C2=O)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.42
ACHE P22303 2/20 0.39
EGFR P00533 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
NOD2 Q9HC29 1/20 0.38
NFE2L2 Q16236 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MMP8 P22894 1/20 0.35
FGFR1 P11362 1/20 0.35
MAPT P10636 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYBB P04839 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
CYP1A2 P05177 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
SCHEMBL10061353 0.77 MMP8 (0.56) EGFRMEN1KMT2AALDH1A1GAA
SCHEMBL10061348 0.75 BACE1 (0.53) BACE1ACHEMEN1KMT2AALDH1A1
SCHEMBL10061356 0.72 BACE1 (0.49) BACE1ACHEMEN1KMT2AALDH1A1
SCHEMBL10061354 0.69 NFE2L2 (0.52) EGFRMEN1KMT2AALDH1A1NOD2
SCHEMBL16062395 0.69 NFE2L2 (0.52) EGFRMEN1KMT2AALDH1A1NOD2
SCHEMBL10061376 0.68 CYP2C9 (0.50) EGFRMEN1KMT2AALDH1A1GAA
SCHEMBL17503227 0.68 BACE1 (0.46) BACE1ACHEEGFRMEN1KMT2A
SCHEMBL3212560 0.67 BACE1 (0.81) BACE1MEN1KMT2AALDH1A1NFE2L2
SCHEMBL3212534 0.67 BACE1 (0.81) BACE1MEN1KMT2AALDH1A1NFE2L2
SCHEMBL13341570 0.65 CYP1A2 (0.60) EGFRMEN1KMT2AALDH1A1GAA

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 435/4885ACHE 18/4885EGFR 4471/4885

“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.