SCHEMBL13250809

SCHEMBL13250809

CC(C)(c1ccc(Oc2cccc(Cl)c2C#N)cc1)c1cccc(C(C)(C)c2ccc(Oc3cccc(Oc4ccc(C5(c6ccc(Oc7cccc(Cl)c7C#N)cc6)c6ccccc6-c6ccccc65)cc4)c3C#N)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.40
TLR8 Q9NR97 1/20 0.39
CASR P41180 7/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
AR P10275 2/20 0.33
EZH2 Q15910 2/20 0.33
ADRB2 P07550 3/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 3/20 0.33

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
SCHEMBL13250812 0.96 MAPT (0.43) MAPTHSD11B1TLR8CASRBCL2L1
SCHEMBL14264198 0.96 MAPT (0.43) MAPTHSD11B1TLR8CASRBCL2L1
SCHEMBL15760413 0.90 ESR1 (0.34) MAPTAREZH2
SCHEMBL18179357 0.90 SMN1; SMN2 (0.35) MAPTHSD11B1TLR8MCL1AR
SCHEMBL18179336 0.89 SMN1; SMN2 (0.34) MAPTHSD11B1TLR8MCL1AR
SCHEMBL12433514 0.87 MAPT (0.50) MAPTHSD11B1TLR8CASRBCL2L1
SCHEMBL2628163 0.85 TLR8 (0.49) MAPTHSD11B1TLR8CASRBCL2L1
SCHEMBL13250811 0.85 MAPT (0.45) MAPTHSD11B1TLR8CASRBCL2L1
SCHEMBL18179329 0.84 AR (0.33) MAPTHSD11B1AR
SCHEMBL12433519 0.84 MAPT (0.41) MAPTHSD11B1TLR8CASRBCL2L1

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-8431676-B2 Aromatic compound and sulfonated polyarylene polymer JSR CORPORATION (JP) 2013-04-30 US disclosed
US-20100174042-A1 AROMATIC COMPOUND AND SULFONATED POLYARYLENE POLYMER JSR CORPORATION (JP) 2010-07-08 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-20100174042-A1 AROMATIC COMPOUND AND SULFONATED POLYARYLENE POLYMER SCO2, CBR1, CNOT1 MAPT 3426/4885HSD11B1 915/4885TLR8 686/4885

“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.