SCHEMBL1104935

SCHEMBL1104935

CCCCCCCCOCOc1ccc2cc(C#N)c(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.67
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAOB P27338 9/20 0.53
MAOA P21397 6/20 0.53
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA5B Q9Y2D0 3/20 0.51
CA4 P22748 2/20 0.51
CA5A P35218 2/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
CA9 Q16790 3/20 0.48
CA6 P23280 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA3 P07451 1/20 0.48
MIF P14174 1/20 0.46
NPC1 O15118 1/20 0.41

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
SCHEMBL11501433 0.91 GLA (0.77) GLAMEN1KMT2AMAOBMAOA
SCHEMBL385923 0.86 GLA (0.81) GLAMEN1KMT2AMAOBMAOA
SCHEMBL11149402 0.84 GLA (0.81) GLAMEN1KMT2AMAOBMAOA
SCHEMBL11132727 0.83 GLA (0.58) GLAMEN1KMT2AMAOBMAOA
SCHEMBL1104929 0.81 GLA (0.76) GLAMEN1KMT2AMAOBMAOA
SCHEMBL240958 0.81 GLA (1.00) GLAMEN1KMT2AMAOBMAOA
SCHEMBL385112 0.78 GLA (0.63) GLAMEN1KMT2AMAOBMAOA
SCHEMBL10687834 0.78 GLA (0.63) GLAMEN1KMT2AMAOBMAOA
SCHEMBL10684373 0.77 GLA (0.63) GLAMEN1KMT2AMAOBMAOA
SCHEMBL8834661 0.75 GLA (0.69) GLAMEN1KMT2AMAOBMAOA

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 GLA 3166/4885MEN1 4855/4885KMT2A 2421/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 GLA 3166/4885MEN1 4855/4885KMT2A 2421/4885

“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.