SCHEMBL624650

SCHEMBL624650

CC(C)C(N)C(=O)Oc1ccc(/C=C/C(=O)C2CCC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
CCR6 P51684 2/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
EGFR P00533 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
MAOB P27338 4/20 0.36
USP2 O75604 1/20 0.35
TLR9 Q9NR96 1/20 0.35
HSD17B3 P37058 1/20 0.35

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
SCHEMBL610043 1.00 ACHE (0.47) ACHECCR6CYP1A2MAPTNPC1
SCHEMBL10061375 0.94 CCR6 (0.40) ACHECCR6CYP1A2MAPTNPC1
SCHEMBL609690 0.86 ACHE (0.43) ACHECCR6CYP1A2MAPTNPC1
SCHEMBL17503194 0.86 ACHE (0.60) ACHECYP1A2MAPTNPC1RAB9A
SCHEMBL610173 0.83 PSMB5 (0.43) ACHECCR6NPC1MEN1KMT2A
SCHEMBL610174 0.83 PSMB5 (0.43) ACHECCR6NPC1MEN1KMT2A
SCHEMBL608070 0.82 ACHE (0.56) ACHECYP1A2MAPTNPC1RAB9A
SCHEMBL608069 0.82 ACHE (0.56) ACHECYP1A2MAPTNPC1RAB9A
SCHEMBL610044 0.81 ACHE (0.46) ACHECCR6CYP1A2MAPTNPC1
SCHEMBL13341566 0.80 CYP1A2 (0.47) CYP1A2MAPTNPC1RAB9ASMN1; SMN2

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 ACHE 18/4885CCR6 103/4885CYP1A2 4526/4885

“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.