SCHEMBL610044

SCHEMBL610044

CC(Cc1ccc(C=CC(=O)C2CCCC(=Cc3ccc(N(C)C)cc3)C2=O)cc1)C(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MMP8 P22894 1/20 0.35
HSD17B3 P37058 1/20 0.34
PTGS2 P35354 2/20 0.33
MMP13 P45452 2/20 0.33
EGFR P00533 1/20 0.33
NSD2 O96028 1/20 0.32

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
SCHEMBL610042 0.87 ACHE (0.43) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17503194 0.84 ACHE (0.60) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL610043 0.81 ACHE (0.47) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL624650 0.81 ACHE (0.47) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL608069 0.81 ACHE (0.56) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL608070 0.81 ACHE (0.56) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL610045 0.79 ACHE (0.47) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL609691 0.75 ACHE (0.44) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL609690 0.75 ACHE (0.43) ACHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10061375 0.74 CCR6 (0.40) ACHENPC1RAB9ASMN1; SMN2MAPT

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 18/4885NPC1 1545/4885RAB9A 1869/4885

“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.