SCHEMBL1104932

SCHEMBL1104932

COc1cc(C(C)=O)c2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.58
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.42
HSD11B1 P28845 1/20 0.39
CA9 Q16790 1/20 0.38
EGFR P00533 1/20 0.38
SLC16A3 O15427 1/20 0.37

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
SCHEMBL5566175 0.80 APP (0.47) APPCYP1A2MAOBKDM4ECA9
SCHEMBL31115697 0.74 APP (1.00) APPCYP1A2ALDH1A1HPGDMAOB
SCHEMBL563392 0.74 APP (1.00) APPCYP1A2ALDH1A1HPGDMAOB
SCHEMBL1104934 0.71 APP (0.62) APPCYP1A2ALDH1A1GAAHPGD
SCHEMBL3974521 0.70 APP (0.72) APPCYP1A2ALDH1A1GAAHPGD
SCHEMBL18932158 0.68 APP (0.74) APPCYP1A2ALDH1A1GAAHPGD
SCHEMBL19630558 0.68 APP (0.69) APPCYP1A2ALDH1A1GAA
SCHEMBL10167882 0.68 APP (1.00) APPCYP1A2EGFR
SCHEMBL22901183 0.67 APP (0.83) APPCYP1A2
SCHEMBL12714390 0.66 APP (0.59) APPCYP1A2

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
US-8153828-B2 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation (US) 2012-04-10 US disclosed
US-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 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 (2 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-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885CYP1A2 2/4885ALDH1A1 766/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885CYP1A2 2/4885ALDH1A1 766/4885

“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.