SCHEMBL1938264

SCHEMBL1938264

CC(C)(C)C(=O)C(C/C=C/COc1cccc(F)c1F)n1cncn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
CYP3A4 P08684 2/20 0.38
CYP19A1 P11511 1/20 0.37
GRM2 Q14416 2/20 0.34
MAPK1 P28482 1/20 0.32
CYP26A1 O43174 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
TSHR P16473 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30

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
SCHEMBL2181537 1.00 MAPT (0.48) MAPTCYP3A4CYP19A1GRM2MAPK1
SCHEMBL10666518 0.92 MAPT (0.53) MAPTCYP3A4CYP19A1MAPK1CYP26A1
SCHEMBL10666511 0.92 MAPT (0.53) MAPTCYP3A4CYP19A1MAPK1CYP26A1
SCHEMBL10664395 0.82 MAPT (0.60) MAPTCYP3A4CYP19A1CYP26A1CYP1A2
SCHEMBL10664398 0.82 MAPT (0.60) MAPTCYP3A4CYP19A1CYP26A1CYP1A2
SCHEMBL1937809 0.82 MEN1 (0.43) MAPTCYP19A1MAPK1HSP90AA1KMT2A
SCHEMBL2181209 0.82 MEN1 (0.43) MAPTCYP19A1MAPK1HSP90AA1KMT2A
SCHEMBL1936250 0.82 MAPT (0.47) MAPTCYP3A4CYP19A1CYP26A1CYP1A2
SCHEMBL2179492 0.82 MAPT (0.47) MAPTCYP3A4CYP19A1CYP26A1CYP1A2
SCHEMBL10666615 0.74 MAPT (0.55) MAPTCYP3A4CYP19A1GRM2MAPK1

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-20110166021-A1 Imidazole and Triazole Compounds, the Use Thereof and Preparations Containing These Compounds BASF SE (DE) 2011-07-07 US disclosed
EP-2331509-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THE USE THEREOF AND PREPARATIONS CONTAINING THESE COMPOUNDS BASF SE (DE) 2011-06-15 EP disclosed
WO-2010028986-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THE USE THEREOF AND PREPARATIONS CONTAINING THESE COMPOUNDS BASF SE (DE) 2010-03-18 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-20110166021-A1 Imidazole and Triazole Compounds, the Use Thereof and Preparations Containing These Compounds NISCH, CYP3A5, CYP11B2 MAPT 505/4885CYP3A4 6/4885CYP19A1 369/4885

“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.