SCHEMBL609542

SCHEMBL609542

Cc1csc(C=CC(=O)C=C(O)C=Cc2cc(C)cs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.54
FOS P01100 2/20 0.54
GSK3B P49841 7/20 0.44
BACE1 P56817 6/20 0.44
TLR9 Q9NR96 1/20 0.44
DAO P14920 1/20 0.41
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HCAR2 Q8TDS4 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL1463002 0.81 HCAR2 (0.47) BACE1DAOHDAC1HDAC2HDAC8
SCHEMBL1463003 0.81 HCAR2 (0.47) BACE1DAOHDAC1HDAC2HDAC8
SCHEMBL13305777 0.78 DAO (0.42) DAOHCAR2NPC1RAB9ATP53
SCHEMBL8948187 0.78 DAO (0.42) DAOHCAR2NPC1RAB9ATP53
SCHEMBL20586110 0.77 CYP1A2 (0.41) JUNFOSGSK3BBACE1TLR9
SCHEMBL8987306 0.76 MAPT (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL18639716 0.72 DAO (0.38) DAOHDAC1HDAC2HDAC8HCAR2
SCHEMBL18874102 0.72 DAO (0.39) DAO
SCHEMBL12644866 0.71 TTR (0.48) HCAR2NPC1RAB9AKDM4EMAPT
SCHEMBL28984309 0.71 TNFRSF1A (0.43) KDM4EALDH1A1TNFRSF1A

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 2 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 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 JUN 4222/4885FOS 4116/4885GSK3B 3394/4885

“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.