SCHEMBL6792463

SCHEMBL6792463

CC/C=C/c1cccc(OC(=O)CCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ EPOR P19235 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ BCL9 O00512 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAOB P27338 3/20 0.41
▸ BCHE P06276 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 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
SCHEMBL3616760 0.84 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAOBBCHE
SCHEMBL3616763 0.84 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAOBBCHE
SCHEMBL16167352 0.84 CYP3A4 (0.51) KDM4EALDH1A1SMN1; SMN2ALOX5ALOX5AP
SCHEMBL16167358 0.84 CYP3A4 (0.51) KDM4EALDH1A1SMN1; SMN2ALOX5ALOX5AP
SCHEMBL1665199 0.84 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL6742203 0.83 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL14732611 0.82 TDP1 (0.43) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL6792937 0.82 BCL9 (0.53) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL421378 0.81 BCL9 (0.53) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL28432983 0.80 ACHE (0.51) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 — — 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-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 KDM4E 3842/4885ALDH1A1 863/4885SMN1; SMN2 1209/4885

“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.

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