SCHEMBL13076537

SCHEMBL13076537

CC(C)(CCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1)[Si](C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
PPARG P37231 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP14 P50281 1/20 0.32
LTB4R Q15722 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.31
BCHE P06276 3/20 0.31
ACHE P22303 3/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL120442 0.88 PPARG (0.41) MAPTPPARGALDH1A1MEN1KMT2A
SCHEMBL11886585 0.83 MAPT (0.44) MAPTPPARGALDH1A1MEN1KMT2A
SCHEMBL9787202 0.78 APP (0.49) MAPTPPARGALDH1A1MEN1KMT2A
SCHEMBL4964090 0.73 ALDH1A1 (0.39) MAPTALDH1A1ATML3MBTL1CYP1A2
SCHEMBL11330844 0.72 MAPT (0.42) MAPTPPARGALDH1A1MEN1KMT2A
SCHEMBL11426275 0.71 MMP14 (0.39) MAPTPPARGALDH1A1MEN1KMT2A
SCHEMBL13903481 0.71 BACE1 (0.31)
SCHEMBL4652904 0.71 BACE1 (0.36) ALDH1A1CYP3A4KDM4EGAAHPGD
SCHEMBL18559515 0.70 MAPT (0.35) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL15338405 0.70 TSHR (0.50) ALDH1A1KMT2APOLBCYP3A4KCNH2

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-20150011512-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2015-01-08 US disclosed
WO-2010125350-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-11-04 WO 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-20150011512-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 MAPT 4494/4885PPARG 630/4885ALDH1A1 55/4885

“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.