SCHEMBL1104940

SCHEMBL1104940

O=C(OCOCc1ccccc1)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCOCc3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
POLB P06746 2/20 0.45
PLEC Q15149 1/20 0.45
ESR1 P03372 1/20 0.42
ABCB1 P08183 1/20 0.42
CFTR P13569 1/20 0.41
PAX8 Q06710 1/20 0.41
GOPC Q9HD26 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
MAOB P27338 5/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
ALPL P05186 1/20 0.39

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
SCHEMBL1104936 0.92 USP2 (0.53) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL1104941 0.89 USP2 (0.49) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL30125078 0.89 USP2 (0.49) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL28520428 0.82 ABCB1 (0.48) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL14008329 0.80 KDM4E (0.50) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL10205410 0.80 ABCB1 (0.48) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL24855342 0.80 USP2 (0.47) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL30887191 0.79 USP2 (0.44) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL16019279 0.79 USP2 (0.44) USP2L3MBTL1MEN1KMT2AATM
SCHEMBL3872337 0.79 USP2 (0.44) USP2L3MBTL1MEN1KMT2AATM

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 USP2 511/4885L3MBTL1 3712/4885MEN1 4855/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 USP2 511/4885L3MBTL1 3712/4885MEN1 4855/4885

“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.