SCHEMBL4529332

SCHEMBL4529332

C/C=C/C=C/C(=O)OC(=O)CC.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 6/20 0.32
CNR1 P21554 4/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10555642 1.00 LMNA (0.36) LMNAMAPK1HTTCNR2CNR1
SCHEMBL4894326 0.98 LMNA (0.35) LMNAMAPK1HTTCNR2CNR1
SCHEMBL27535742 0.98 LMNA (0.36) LMNAMAPK1HTTCNR2CNR1
SCHEMBL6744050 0.96 LMNA (0.36) LMNAMAPK1HTTCNR2CNR1
SCHEMBL28160427 0.94 LMNA (0.35) LMNAMAPK1HTTCNR2CNR1
SCHEMBL8452083 0.85 LMNA (0.36) LMNAMAPK1HTTCNR2CNR1
SCHEMBL2261535 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL988310 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1238290 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL111657 0.82 MAPK1 (0.38) LMNAMAPK1HTTCNR2CNR1

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-7625878-B2 Sulfoalkyl ether-alkyl ether cyclodextrin derivatives THE UNIVERSITY OF KANSAS (US) 2009-12-01 US disclosed
US-20060258537-A1 Sulfoalkyl ether-alkyl ether cyclodextrin derivatives UNIVERSITY OF KANSAS 2006-11-16 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-20060258537-A1 Sulfoalkyl ether-alkyl ether cyclodextrin derivatives SELE, STS, EPCAM LMNA 4070/4885MAPK1 2848/4885HTT 3605/4885

“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.