SCHEMBL608069

SCHEMBL608069

CN(C)c1ccc(/C=C2/CCCC(C(=O)/C=C/c3ccc(O)cc3)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TLR9 Q9NR96 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
APP P05067 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP26A1 O43174 1/20 0.44
MIF P14174 1/20 0.44
HSD17B3 P37058 1/20 0.43

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
SCHEMBL608070 1.00 ACHE (0.56) ACHECRHBPCRHR2TLR9CYP1A2
SCHEMBL17503194 0.96 ACHE (0.60) ACHECRHBPCRHR2TLR9CYP1A2
SCHEMBL610609 0.91 CYP2C9 (0.50) ACHECYP1A2MAPTRAB9AHPGD
SCHEMBL610608 0.91 CYP2C9 (0.50) ACHECYP1A2MAPTRAB9AHPGD
Dimethylamine SCHEMBL17503198 0.85 MGAM (0.50) ACHECYP1A2MAPTNPC1RAB9A
SCHEMBL610043 0.82 ACHE (0.47) ACHETLR9CYP1A2MAPTNPC1
SCHEMBL624650 0.82 ACHE (0.47) ACHETLR9CYP1A2MAPTNPC1
SCHEMBL610045 0.82 ACHE (0.47) ACHECRHBPCRHR2TLR9CYP1A2
SCHEMBL610044 0.81 ACHE (0.46) ACHECYP1A2MAPTNPC1RAB9A
SCHEMBL10061347 0.80 MAPT (0.49) ACHECYP1A2MAPTNPC1RAB9A

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 4 patents. 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 claimed
WO-2010068935-A2 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-06-17 WO claimed
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 US disclosed
WO-2010068935-A2 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-06-17 WO 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 ACHE 18/4885CRHBP 1176/4885CRHR2 1619/4885

“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.