SCHEMBL4421092

SCHEMBL4421092

CCOC(=O)C(C)(C)Oc1cc(OC(=O)OC)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.44
CDC25B P30305 2/20 0.43
PPARA Q07869 4/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARG P37231 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL4431085 0.81 FBP1 (0.46) FBP1CDC25BPPARAABCB11CYP1A2
SCHEMBL10344228 0.78 CDC25B (0.43) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL4424052 0.76 PPARA (0.51) FBP1CDC25BPPARAABCB11CYP1A2
SCHEMBL4421534 0.72 PPARA (0.41) FBP1CDC25BPPARAABCB11CYP1A2
SCHEMBL4421684 0.70 NQO2 (0.50) CDC25BKDM4EALDH1A1HSD17B10
SCHEMBL12670823 0.70 FBP1 (0.56) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL7768542 0.70 NQO2 (0.46) CDC25BCYP1A2CYP3A4CDC25ACDC25C
SCHEMBL4111678 0.69 FBP1 (0.58) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5102873 0.69 FBP1 (0.49) FBP1CDC25BPPARAABCB11CYP1A2
SCHEMBL15460021 0.69 PPARA (0.55) FBP1PPARAABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG FBP1 1172/4885CDC25B 3169/4885PPARA 2/4885

“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.