SCHEMBL1967437

SCHEMBL1967437

CC(C)(C)C(=O)C(CCCC(C)(C)c1ccccc1)n1cncn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
CYP3A4 P08684 3/20 0.42
HSP90AA1 P07900 3/20 0.41
CYP26A1 O43174 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP24A1 Q07973 1/20 0.38
PPARG P37231 1/20 0.38
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL1965569 0.88 MAPT (0.53) MAPTCYP3A4HSP90AA1CYP26A1CYP19A1
SCHEMBL2221110 0.81 MAPT (0.77) MAPTCYP3A4HSP90AA1CYP26A1CYP1A2
SCHEMBL10568398 0.81 MAPT (0.62) MAPTCYP3A4CYP26A1CYP1A2CYP2D6
SCHEMBL12418531 0.79 MAPT (0.58) MAPTCYP3A4HSP90AA1CYP26A1CYP1A2
SCHEMBL9824981 0.79 MAPT (1.00) MAPTCYP3A4HSP90AA1CYP26A1CYP1A2
SCHEMBL11181063 0.79 MAPT (0.65) MAPTCYP3A4CYP26A1CYP1A2CYP2D6
SCHEMBL1923770 0.77 MAPT (0.55) MAPTCYP3A4HSP90AA1CYP26A1CYP1A2
SCHEMBL1969687 0.77 KMT2A (0.52) MAPTCYP3A4HSP90AA1CYP26A1CYP1A2
SCHEMBL12415427 0.76 MAPT (0.60) MAPTCYP3A4HSP90AA1CYP26A1CYP1A2
SCHEMBL10666615 0.76 MAPT (0.55) MAPTCYP3A4CYP19A1KMT2AMEN1

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-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same BASF SE (DE) 2011-07-14 US disclosed
EP-2334650-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2011-06-22 EP disclosed
WO-2010031848-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-03-25 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-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same COX4I1, CYP2C19, CYP3A43 MAPT 513/4885CYP3A4 4/4885HSP90AA1 1991/4885

“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.