SCHEMBL2160987

SCHEMBL2160987

CC(C)(C)C(O)C(CCCCOc1cc(F)ccc1F)n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSP90AA1 P07900 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP19A1 P11511 3/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP51A1 Q16850 1/20 0.33
CYP2B6 P20813 1/20 0.32
CYP3A5 P20815 1/20 0.32
CYP3A7 P24462 1/20 0.32
CYP3A43 Q9HB55 1/20 0.32
CYP46A1 Q9Y6A2 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
SCHEMBL12336846 0.92 MEN1 (0.47) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL1923135 0.91 MEN1 (0.56) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL2161013 0.90 MAPK1 (0.52) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL2315369 0.90 MAPK1 (0.41) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL3699829 0.84 MEN1 (0.47) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL3700015 0.81 MEN1 (0.49) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL2159802 0.81 MAPK1 (0.31) MAPK1
SCHEMBL3237155 0.80 MAPK1 (0.39) MEN1KMT2ATDP1HSP90AA1MAPK1
SCHEMBL1964298 0.79 MEN1 (0.57) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL10915818 0.78 MEN1 (0.51) 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-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-07-28 US disclosed
EP-2346838-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040718-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2010-04-15 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-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them OAT, ABAT, TYR MEN1 1942/4885KMT2A 2752/4885TDP1 1211/4885

“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.