SCHEMBL12291300

SCHEMBL12291300

O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
USP2 O75604 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.49
CA9 Q16790 6/20 0.48
CA12 O43570 5/20 0.48
ESR1 P03372 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
ACHE P22303 1/20 0.44
ATM Q13315 1/20 0.43
PLEC Q15149 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL15990743 0.84 USP2 (0.47) MAOBUSP2L3MBTL1CA9CA12
SCHEMBL20788133 0.83 USP2 (0.48) USP2L3MBTL1CA9CA12ESR1
SCHEMBL1104936 0.83 USP2 (0.53) MAOBUSP2L3MBTL1CA9CA12
SCHEMBL1104941 0.82 USP2 (0.49) MAOBUSP2L3MBTL1MEN1KMT2A
SCHEMBL30125078 0.82 USP2 (0.49) MAOBUSP2L3MBTL1MEN1KMT2A
SCHEMBL14527749 0.82 USP2 (0.55) USP2L3MBTL1CA9CA12ESR1
SCHEMBL10268461 0.82 USP2 (0.55) USP2L3MBTL1MAPTCA9CA12
SCHEMBL31621793 0.82 USP2 (0.55) USP2L3MBTL1MAPTCA9CA12
SCHEMBL10205413 0.80 PTPN11 (0.54) USP2L3MBTL1CA9CA12ESR1
SCHEMBL15298865 0.80 USP2 (0.56) USP2L3MBTL1MAPTCA9CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8021647-B2 In vivo optical imaging GENERAL ELECTRIC COMPANY (US) 2011-09-20 US disclosed
US-8021647-B2 In vivo optical imaging GENERAL ELECTRIC COMPANY (US) 2011-09-20 US disclosed
US-20090004116-A1 IN VIVO OPTICAL IMAGING GENERAL ELECTRIC COMPANY (US) 2009-01-01 US disclosed
US-20090004116-A1 IN VIVO OPTICAL IMAGING GENERAL ELECTRIC COMPANY (US) 2009-01-01 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 (1 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-20090004116-A1 IN VIVO OPTICAL IMAGING ALDH1A2, GUSB, ENGASE MAOB 168/4885USP2 1600/4885L3MBTL1 830/4885

“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.