SCHEMBL1967149

SCHEMBL1967149

CC(C)(C)C(O)C(CCOCCc1ccccc1F)n1cncn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSP90AA1 P07900 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.35
CYP19A1 P11511 4/20 0.34
CYP3A4 P08684 3/20 0.33
CYP26A1 O43174 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL1963735 0.80 MAPT (0.54) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL2161013 0.78 MAPK1 (0.52) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL1964353 0.78 MEN1 (0.54) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL12418543 0.77 MEN1 (0.58) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL515394 0.77 MEN1 (0.53) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL3700015 0.76 MEN1 (0.49) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL12394775 0.74 MEN1 (0.56) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL10364639 0.74 MEN1 (0.57) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL1966218 0.73 MEN1 (0.48) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL12418678 0.73 MEN1 (0.56) MEN1KMT2ATDP1HSP90AA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172095-A1 Triazole Compounds, Use Thereof and Agents Containing Same BASF SE (DE) 2011-07-14 US disclosed
EP-2334656-A1 TRIAZOLE COMPOUNDS, USE THEREOF, AND AGENTS CONTAINING SAME BASF SE (DE) 2011-06-22 EP disclosed
WO-2010029001-A1 TRIAZOLE COMPOUNDS, USE THEREOF, AND AGENTS CONTAINING SAME BASF SE (DE) 2010-03-18 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-20110172095-A1 Triazole Compounds, Use Thereof and Agents Containing Same CYP3A43, CYP3A5, CYP1B1 MEN1 953/4885KMT2A 2578/4885TDP1 1051/4885

“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.