SCHEMBL6703580

SCHEMBL6703580

O=C1C=C(c2ccccc2)C(C(=O)NC2CCCCC2)O1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
S1PR1 P21453 1/20 0.45
HPGD P15428 2/20 0.45
EPHX2 P34913 3/20 0.44
RAB9A P51151 3/20 0.44
EPHX1 P07099 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL6704475 0.97 LMNA (0.49) GAAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6704655 0.87 NPC1 (0.49) ALDH1A1SMN1; SMN2HPGDEPHX2RAB9A
SCHEMBL6704728 0.80 EPHX1 (0.48) GAAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6703340 0.76 GAA (0.49) GAAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6704166 0.72 HPGDS (0.48) ALDH1A1LMNAKMT2AHPGDHTT
Biphenyl SCHEMBL5492703 0.71 MEN1 (0.63) GAAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6703391 0.69 PTPRC (0.40) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2983895 0.66 NPC1 (0.84) GAAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL22289346 0.66 NPC1 (0.84) GAAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL22308180 0.66 NPC1 (0.84) GAAALDH1A1SMN1; SMN2LMNAMEN1

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-20040102488-A1 Butenolide and pentenolide derivatives as kinase inhibitors MORPHOCHEM AG (DE) 2004-05-27 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-20040102488-A1 Butenolide and pentenolide derivatives as kinase inhibitors MAP3K20, MAP3K21, MAP3K1 GAA 1655/4885ALDH1A1 2905/4885SMN1; SMN2 4578/4885

“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.