SCHEMBL12418543

SCHEMBL12418543

CC(C)(C)C(O)C(CCc1ccccc1)n1cncn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 1/20 0.50
HSP90AA1 P07900 2/20 0.43
POLB P06746 1/20 0.43
CYP19A1 P11511 4/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
TRPA1 O75762 1/20 0.37
CYP26A1 O43174 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10364639 0.94 MEN1 (0.57) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12418678 0.92 MEN1 (0.56) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12418541 0.88 KMT2A (0.60) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL11303120 0.87 MEN1 (0.77) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL10368769 0.86 MEN1 (0.76) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL1969687 0.81 KMT2A (0.52) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL515394 0.81 MEN1 (0.53) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12394779 0.81 MEN1 (0.76) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12394775 0.81 MEN1 (0.56) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL1964298 0.80 MEN1 (0.57) MEN1KMT2ATDP1MAPTHSP90AA1

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-20110172098-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-14 US disclosed
US-20110172098-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-14 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-20110172098-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same COX4I1, CYP2C19, CYP3A43 MEN1 986/4885KMT2A 1323/4885TDP1 688/4885

“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.