SCHEMBL12418541

SCHEMBL12418541

Cc1ccc(CCC(C(O)C(C)(C)C)n2cncn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
TDP1 Q9NUW8 2/20 0.50
HSP90AA1 P07900 2/20 0.43
CYP19A1 P11511 7/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE4B Q07343 1/20 0.33

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
SCHEMBL11303120 0.89 MEN1 (0.77) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL12418543 0.88 MEN1 (0.58) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL11369449 0.87 KMT2A (0.79) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL12394779 0.82 MEN1 (0.76) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL10364639 0.82 MEN1 (0.57) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL12418677 0.81 MEN1 (0.74) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL1964298 0.81 MEN1 (0.57) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL12418678 0.81 MEN1 (0.56) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL13447835 0.81 MEN1 (0.56) KMT2AMEN1TDP1HSP90AA1CYP19A1
SCHEMBL8927137 0.79 MEN1 (0.52) KMT2AMEN1TDP1HSP90AA1POLB

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 KMT2A 1323/4885MEN1 986/4885TDP1 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.