SCHEMBL608844

SCHEMBL608844

O=C(C=Cc1ccc(N2CCOCC2)cc1)C1CCCC(=Cc2ccc(N3CCOCC3)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.54
MAPT P10636 9/20 0.47
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.46
MAOB P27338 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
FGFR1 P11362 2/20 0.43
ACHE P22303 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL608843 1.00 PTGS2 (0.54) PTGS2MAPTALDH1A1MEN1KMT2A
SCHEMBL10061396 1.00 PTGS2 (0.54) PTGS2MAPTALDH1A1MEN1KMT2A
SCHEMBL606631 0.92 PTGS2 (0.63) PTGS2MAPTFGFR1ACHE
SCHEMBL10061394 0.92 PTGS2 (0.63) PTGS2MAPTFGFR1ACHE
SCHEMBL606630 0.92 PTGS2 (0.63) PTGS2MAPTFGFR1ACHE
SCHEMBL10061385 0.91 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL610240 0.91 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL610239 0.91 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL610608 0.81 CYP2C9 (0.50) PTGS2MAPTALDH1A1MEN1KMT2A
SCHEMBL610609 0.81 CYP2C9 (0.50) PTGS2MAPTALDH1A1MEN1KMT2A

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 PTGS2 1859/4885MAPT 8/4885ALDH1A1 1253/4885

“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.