SCHEMBL1104920

SCHEMBL1104920

O=C(OCc1ccccc1)c1c2oc3cc(OCc4ccccc4)ccc3nc-2ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
MAOB P27338 5/20 0.47
SLC16A3 O15427 1/20 0.47
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOA P21397 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
MTNR1A P48039 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL563335 0.75 APP (0.79) APPMAOBSLC16A3MEN1NPC1
SCHEMBL29809000 0.75 APP (0.79) APPMAOBSLC16A3MEN1NPC1
SCHEMBL18924100 0.72 MAOB (0.52) APPMAOBSLC16A3MEN1NPC1
SCHEMBL1104937 0.71 APP (0.55) APPMAOBSLC16A3CA12CA1
SCHEMBL12836366 0.71 APP (0.39) APPSLC16A3
SCHEMBL93300 0.70 MAOB (0.85) MAOBSLC16A3MAOACA12CA1
SCHEMBL18924102 0.70 MAOB (0.53) APPMAOBSLC16A3MEN1NPC1
SCHEMBL754138 0.70 MAOB (0.51) MAOBSLC16A3MEN1NPC1KMT2A
SCHEMBL22871588 0.70 MAOB (0.55) APPMAOBMEN1NPC1KMT2A
SCHEMBL21814806 0.70 MAOB (0.55) APPMAOBSLC16A3MEN1NPC1

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 8 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-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-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
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 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 3233/4885MAOB 84/4885SLC16A3 2722/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885MAOB 84/4885SLC16A3 2722/4885

“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.