SCHEMBL6704655

SCHEMBL6704655

O=C1C=C(c2ccc(Cl)cc2)C(C(=O)NC2CCCCC2)O1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX12 P18054 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CNR1 P21554 3/20 0.46
EPHX2 P34913 1/20 0.45
TP53 P04637 2/20 0.45
MDM2 Q00987 2/20 0.45
TRPV1 Q8NER1 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 0.87 LMNA (0.49) NPC1RAB9AEPHX1ALDH1A1SMN1; SMN2
SCHEMBL6703580 0.87 GAA (0.49) NPC1RAB9AEPHX1ALDH1A1SMN1; SMN2
SCHEMBL6703296 0.84 RAB9A (0.52) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL6703375 0.72 TP53 (0.43) ALDH1A1SMN1; SMN2MAPTHPGDCNR1
SCHEMBL8303337 0.67 EPHX1 (0.77) NPC1RAB9AL3MBTL1EPHX1ALDH1A1
SCHEMBL12784752 0.66 ALOX12 (0.51) NPC1RAB9AL3MBTL1EPHX1ALDH1A1
SCHEMBL23130338 0.64 POLB (1.00) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL10089307 0.64 EPHX1 (1.00) NPC1RAB9AEPHX1ALDH1A1CYP2C9
SCHEMBL28603629 0.64 EPHX1 (0.63) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL13307754 0.64 CNR1 (0.55) NPC1RAB9AL3MBTL1EPHX1ALDH1A1

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 NPC1 3108/4885RAB9A 3482/4885L3MBTL1 4674/4885

“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.