SCHEMBL6704728

SCHEMBL6704728

O=C1C=C(c2cccc3ccccc23)C(C(=O)NC2CCCCC2)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
EPHX2 P34913 1/20 0.47
TSHR P16473 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 2/20 0.40

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
SCHEMBL6703580 0.80 GAA (0.49) EPHX1EPHX2TSHRKDM4EALDH1A1
SCHEMBL6704475 0.78 LMNA (0.49) EPHX1EPHX2KDM4EALDH1A1RAB9A
SCHEMBL6701630 0.75 HPGD (0.41) EPHX1TSHRKDM4EALDH1A1MEN1
SCHEMBL6704655 0.73 NPC1 (0.49) EPHX1EPHX2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3456146 0.67 NPC1 (0.65) EPHX1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL3954720 0.67 NPC1 (0.65) EPHX1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL30073645 0.67 NPC1 (0.65) EPHX1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL2751444 0.66 DRD4 (0.64) EPHX1KDM4EALDH1A1RAB9AMEN1
SCHEMBL2752183 0.65 EPHX1 (0.67) EPHX1EPHX2KDM4EALDH1A1SMN1; SMN2
SCHEMBL10089305 0.65 EPHX1 (1.00) EPHX1TSHRKDM4EALDH1A1RAB9A

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 EPHX1 1620/4885EPHX2 2313/4885TSHR 4168/4885

“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.