SCHEMBL6528241

SCHEMBL6528241

CC(=O)N=C1C=C(C)C(=O)C(C)=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ RBBP9 O75884 2/20 0.40
▸ GAA P10253 4/20 0.40
▸ PKM P14618 3/20 0.40
▸ MAPT P10636 7/20 0.38
▸ LMNA P02545 5/20 0.38
▸ HTT P42858 4/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ KAT2A Q92830 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK1 P28482 3/20 0.32
▸ USP2 O75604 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ RECQL P46063 2/20 0.32

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
SCHEMBL11838277 0.69 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ARBBP9GAA
SCHEMBL354378 0.67 MIF (1.00) MIFALDH1A1MAPK1BLMRECQL
SCHEMBL85760 0.65 MEN1 (0.37) ALDH1A1MEN1KMT2ARBBP9GAA
SCHEMBL18871306 0.65 PLK1 (0.44) MIFALDH1A1MEN1KMT2AGAA
SCHEMBL21463 0.63 MAPT (0.41) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL2741115 0.63 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL12500796 0.59 MEN1 (0.37) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL17413869 0.58 MEN1 (0.33) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL20444266 0.57 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ARBBP9GAA
SCHEMBL3624714 0.55 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AGAAPKM

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
WO-2003007875-A9 COMPOUNDS WITH ANALGESIC, ANTIPYRETIC AND/OR ANTI-INFLAMMATORY ACTIVITY HOEGESTAETT EDWARD (SE) 2005-03-10 — — WO disclosed
US-20040209959-A1 Congeners of acetaminophen and related compounds as substrates for fatty acid conjugation and their use in treatment of pain, fever and inflammation HOGESTATT EDWARD (SE) 2004-10-21 — — US disclosed
WO-2003007875-A2 COMPOUNDS WITH ANALGESIC, ANTIPYRETIC AND/OR ANTI-INFLAMMATORY ACTIVITY HOEGESTAETT EDWARD (SE) 2003-01-30 — — 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-20040209959-A1 Congeners of acetaminophen and related compounds as substrates for fatty acid conjugation and their use in treatment of pain, fever and inflammation ACOX3, CYP2E1, CYP3A43 MIF 814/4885ALDH1A1 417/4885MEN1 4865/4885

“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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