SCHEMBL6400282

SCHEMBL6400282

CC(C)(C)OC(=O)N1CCC(COC(=O)Oc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
GPR119 Q8TDV5 7/20 0.53
GAA P10253 1/20 0.50
USP30 Q70CQ3 1/20 0.48
STS P08842 1/20 0.48
KDM1A O60341 1/20 0.48
CSF1R P07333 1/20 0.47
TGFBR1 P36897 1/20 0.47
YAP1 P46937 1/20 0.46

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
SCHEMBL6152437 0.89 KDM4E (0.56) KDM4EPKMGPR119GAAUSP30
SCHEMBL3249170 0.85 KDM4E (0.61) KDM4EPKMGPR119STSCSF1R
SCHEMBL313831 0.85 ALDH1A1 (0.55) GPR119
SCHEMBL5190669 0.83 HPGD (0.51) KDM4EPKMGPR119
SCHEMBL4209884 0.83 KDM4E (0.65) KDM4EPKMGPR119USP30STS
SCHEMBL3362056 0.81 KDM4E (0.57) KDM4EPKMGPR119GAASTS
SCHEMBL14681031 0.81 KDM4E (0.57) KDM4EPKMGPR119STSTGFBR1
Benzene SCHEMBL3362058 0.81 KDM4E (0.55) KDM4EPKMGPR119STSTGFBR1
SCHEMBL6148210 0.80 KDM4E (0.71) KDM4EPKMGPR119GAASTS
SCHEMBL5190671 0.79 KDM4E (0.52) KDM4EPKMGPR119

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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 KDM4E 470/4885PKM 3864/4885GPR119 789/4885

“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.