SCHEMBL1104937

SCHEMBL1104937

COc1ccc2nc3ccc(=O)c(C(C)=O)c-3oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.55
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 1/20 0.41
F2RL3 Q96RI0 1/20 0.40
TLR4 O00206 1/20 0.40
XDH P47989 1/20 0.40
NLRP3 Q96P20 1/20 0.40
SLC16A3 O15427 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
AKR1B1 P15121 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 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
SCHEMBL12836366 0.75 APP (0.39) APPCYP1A2SLC16A3HDAC6
SCHEMBL10205581 0.73 APP (0.55) APPALDH1A1HPGDGAAKDM4E
SCHEMBL1104920 0.71 APP (0.48) APPMAOBKDM4EF2RL3SLC16A3
SCHEMBL563392 0.71 APP (1.00) APPALDH1A1HPGDMAOBKDM4E
SCHEMBL31115697 0.71 APP (1.00) APPALDH1A1HPGDMAOBKDM4E
SCHEMBL1104934 0.71 APP (0.62) APPALDH1A1HPGDGAAMAOB
SCHEMBL3774405 0.71 APP (0.58) APPALDH1A1HPGDGAAMAOB
SCHEMBL10575127 0.69 APP (0.53) APPALDH1A1HPGDGAAMAOB
SCHEMBL10572470 0.69 APP (0.53) APPALDH1A1HPGDMAOBKDM4E
SCHEMBL28848887 0.69 TLR4 (0.56) APPALDH1A1HPGDGAAMAOB

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 3233/4885ALDH1A1 766/4885HPGD 1218/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885ALDH1A1 766/4885HPGD 1218/4885

“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.