SCHEMBL12733332

SCHEMBL12733332

COc1ccc(Oc2ccc(C(C)(C)C)cc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 3/20 0.45
FGFR2 P21802 2/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 1/20 0.40
LTA4H P09960 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL5024165 0.84 L3MBTL1 (0.71) RAB9AL3MBTL1KDM4EMAPTMAPK1
SCHEMBL12261813 0.84 KDM4E (0.46) RAB9AKDM4EMAPTMAPK1ALDH1A1
SCHEMBL12732639 0.83 RAB9A (0.49) RAB9AL3MBTL1KDM4EFGFR2MAPT
SCHEMBL740256 0.83 CA12 (0.52) RAB9AL3MBTL1MAPTMAPK1ALDH1A1
SCHEMBL701208 0.82 KDM4E (0.55) RAB9AL3MBTL1KDM4EMAPTMAPK1
SCHEMBL2262676 0.81 KDM4E (0.44) RAB9AL3MBTL1KDM4EFGFR2MAPT
SCHEMBL195044 0.81 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL22349707 0.80 AR (0.50) KDM4ECA12CA1CA2CA9
SCHEMBL8303786 0.79 ACHE (0.54) RAB9AL3MBTL1MAPTMAPK1ALDH1A1
SCHEMBL22966286 0.79 ALDH1A1 (0.62) RAB9AL3MBTL1KDM4EFGFR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 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-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 RAB9A 2145/4885L3MBTL1 4555/4885KDM4E 1066/4885

“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.