SCHEMBL12349203

SCHEMBL12349203

CCOC(=O)c1ccc(/[N+]([O-])=C/c2ccc(/C=[N+](\[O-])c3ccc(C(=O)OCC)cc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ESR2 Q92731 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
HPGD P15428 4/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 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
SCHEMBL27951868 0.84 L3MBTL1 (0.56) G6PDL3MBTL1KCNJ1KCNH2CA1
SCHEMBL12349132 0.84 L3MBTL1 (0.56) G6PDL3MBTL1KCNJ1KCNH2CA1
SCHEMBL27951865 0.80 G6PD (0.52) G6PDL3MBTL1KCNJ1KCNH2CA1
SCHEMBL14351336 0.80 G6PD (0.52) G6PDL3MBTL1KCNJ1KCNH2CA1
SCHEMBL14788821 0.80 G6PD (0.52) G6PDL3MBTL1KCNJ1KCNH2CA1
SCHEMBL7778270 0.77 CA1 (0.58) L3MBTL1KCNJ1KCNH2CA1CA2
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.76 KCNJ1 (0.68) L3MBTL1KCNJ1KCNH2CA1CA2
SCHEMBL506354 0.76 G6PD (0.51) G6PDL3MBTL1KCNJ1KCNH2CA1
SCHEMBL14777355 0.75 TSHR (0.52) G6PDL3MBTL1CA2CA9HPGD
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 0.74 KCNJ1 (0.67) L3MBTL1KCNJ1KCNH2CA1CA2

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-7989488-B2 Compositions and methods for storing holographic data GENERAL ELECTRIC COMPANY (US) 2011-08-02 US disclosed
US-7901839-B2 Compositions and methods for storing holographic data GENERAL ELECTRIC COMPANY (US) 2011-03-08 US disclosed
US-20090081560-A1 COMPOSITIONS AND METHODS FOR STORING HOLOGRAPHIC DATA GENERAL ELECTRIC COMPANY (US) 2009-03-26 US disclosed
US-20090082580-A1 COMPOSITIONS AND METHODS FOR STORING HOLOGRAPHIC DATA GENERAL ELECTRIC COMPANY (US) 2009-03-26 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-20090082580-A1 COMPOSITIONS AND METHODS FOR STORING HOLOGRAPHIC DATA C5, C1S, CYC1 G6PD 4411/4885L3MBTL1 3660/4885KCNJ1 4046/4885

“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.