SCHEMBL2023866

SCHEMBL2023866

CC(=CCOc1c(F)cccc1F)CC(C(=O)C(C)(C)C)n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
CYP3A4 P08684 2/20 0.39
KMT2A Q03164 3/20 0.32
CYP26A1 O43174 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP24A1 Q07973 1/20 0.31
HSP90AA1 P07900 2/20 0.31
POLB P06746 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
SCHEMBL1966934 1.00 MAPT (0.52) MAPTCYP3A4KMT2ACYP26A1MEN1
SCHEMBL2027521 0.81 MEN1 (0.47) MAPTKMT2AMEN1TDP1HSP90AA1
SCHEMBL1963863 0.81 MEN1 (0.47) MAPTKMT2AMEN1TDP1HSP90AA1
SCHEMBL2181537 0.74 MAPT (0.48) MAPTCYP3A4KMT2ACYP26A1CYP1A2
SCHEMBL1938264 0.74 MAPT (0.48) MAPTCYP3A4KMT2ACYP26A1CYP1A2
SCHEMBL10666518 0.73 MAPT (0.53) MAPTCYP3A4KMT2ACYP26A1MEN1
SCHEMBL10666511 0.73 MAPT (0.53) MAPTCYP3A4KMT2ACYP26A1MEN1
SCHEMBL10666615 0.71 MAPT (0.55) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL2021950 0.71 MAPT (0.47) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1966187 0.71 MAPT (0.47) MAPTCYP3A4KMT2AMEN1TDP1

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-20110160055-A1 Imidazole and Triazole Compounds as Fungicides BASF SE (DE) 2011-06-30 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-20110160055-A1 Imidazole and Triazole Compounds as Fungicides CYP51A1, CYP3A43, CYP3A5 MAPT 1207/4885CYP3A4 9/4885KMT2A 2005/4885

“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.