SCHEMBL6183885

SCHEMBL6183885

CC(C)(C)OC(=O)N1CCCOc2ccc(C=O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
ALDH1A3 P47895 5/20 0.38
ALDH1A1 P00352 5/20 0.38
USP30 Q70CQ3 1/20 0.37
KDM1A O60341 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
ALDH3A1 P30838 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2878054 0.93 EGFR (0.45) EGFRBTKALDH1A3ALDH1A1USP30
SCHEMBL30418523 0.93 EGFR (0.45) EGFRBTKALDH1A3ALDH1A1USP30
SCHEMBL26092853 0.84 USP30 (0.48) EGFRBTKALDH1A3ALDH1A1USP30
SCHEMBL30419049 0.84 USP30 (0.48) EGFRBTKALDH1A3ALDH1A1USP30
SCHEMBL29620812 0.84 LMNA (0.42) EGFRBTKALDH1A1USP30KDM1A
SCHEMBL6172239 0.84 LMNA (0.42) EGFRBTKALDH1A1USP30KDM1A
SCHEMBL12405441 0.82 EGFR (0.46) EGFRBTKUSP30KEAP1NFE2L2
SCHEMBL3132755 0.81 NOTUM (0.54) USP30KDM1AMAPTTHRB
SCHEMBL23142269 0.78 KDM4E (0.45) ALDH1A1USP30KDM1AMAPTHTT
SCHEMBL16693062 0.78 ALDH1A1 (0.56) ALDH1A3ALDH1A1MAPTHSD17B10KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581529-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY (US) 2005-10-05 EP disclosed
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-07-15 US disclosed
WO-2004056820-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO 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-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents XDH, TBXA2R, TBXAS1 EGFR 2983/4885BTK 159/4885ALDH1A3 1279/4885

“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.