SCHEMBL12376835

SCHEMBL12376835

CCCOc1ccc(Sc2ccc(OCCOCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
THRA P10827 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
NCF1 P14598 2/20 0.42
KDM4E B2RXH2 4/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NQO1 P15559 1/20 0.40

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
SCHEMBL13347001 0.94 THRA (0.46) THRASMN1; SMN2MAPK1NCF1KDM4E
SCHEMBL13397870 0.89 LTA4H (0.53) LTA4HSMN1; SMN2MAPTNPC1HPGD
SCHEMBL29119791 0.87 LTA4H (0.52) LTA4HSMN1; SMN2MAPTNPC1HPGD
SCHEMBL12411386 0.86 NR1I2 (0.49) THRASMN1; SMN2MAPK1NCF1KDM4E
SCHEMBL16200805 0.84 LTA4H (0.46) LTA4HSMN1; SMN2MAPTNPC1HPGD
SCHEMBL4053878 0.83 RARB (0.53) LTA4HTHRASMN1; SMN2MAPTNPC1
SCHEMBL16200808 0.83 KDM4E (0.50) LTA4HSMN1; SMN2MAPTNPC1HPGD
SCHEMBL4061378 0.82 NQO1 (0.57) LTA4HTHRASMN1; SMN2MAPK1NCF1
SCHEMBL752943 0.81 ALDH1A1 (0.45) THRASMN1; SMN2MAPTNCF1KDM4E
SCHEMBL6366925 0.81 THRA (0.49) LTA4HTHRASMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195194-A1 CATIONIC RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 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-20110195194-A1 CATIONIC RADIATION CURABLE COMPOSITIONS NR2E3, NR2E1, CCNE2 LTA4H 2923/4885THRA 1520/4885SMN1; SMN2 3538/4885

“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.