SCHEMBL5002298

SCHEMBL5002298

CCOC(=O)C(CCC(=O)c1cccc(F)c1F)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CTSK P43235 6/20 0.41
CTSS P25774 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
SCN9A Q15858 2/20 0.39
PPARD Q03181 2/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL2584537 0.90 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL2588065 0.84 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL2578532 0.83 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL2587761 0.83 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL28523812 0.82 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL28523811 0.82 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL2346620 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL2346622 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL2587430 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL28907996 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAPKM

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-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-28 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-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES OPRM1, OPRK1, OPRD1 ALDH1A1 2062/4885MAPT 3723/4885KDM4E 4439/4885

“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.