SCHEMBL10061394

SCHEMBL10061394

O=C(/C=C/c1ccc(N2CCCC2)cc1)C1CCC/C(=C\c2ccc(N3CCCC3)cc2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.63
ACHE P22303 5/20 0.51
CTSL P07711 4/20 0.45
CTSB P07858 4/20 0.45
BCHE P06276 1/20 0.44
MAPT P10636 1/20 0.41
FGFR1 P11362 2/20 0.41

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
SCHEMBL606630 1.00 PTGS2 (0.63) PTGS2ACHECTSLCTSBBCHE
SCHEMBL606631 1.00 PTGS2 (0.63) PTGS2ACHECTSLCTSBBCHE
SCHEMBL10061385 0.99 PTGS2 (0.62) PTGS2ACHECTSLCTSBBCHE
SCHEMBL610240 0.99 PTGS2 (0.62) PTGS2ACHECTSLCTSBBCHE
SCHEMBL610239 0.99 PTGS2 (0.62) PTGS2ACHECTSLCTSBBCHE
SCHEMBL10061396 0.92 PTGS2 (0.54) PTGS2ACHEMAPTFGFR1
SCHEMBL608843 0.92 PTGS2 (0.54) PTGS2ACHEMAPTFGFR1
SCHEMBL608844 0.92 PTGS2 (0.54) PTGS2ACHEMAPTFGFR1
SCHEMBL610609 0.84 CYP2C9 (0.50) PTGS2ACHEMAPT
SCHEMBL610608 0.84 CYP2C9 (0.50) PTGS2ACHEMAPT

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 3 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
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 1859/4885ACHE 18/4885CTSL 735/4885

“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.