SCHEMBL1967989

SCHEMBL1967989

CC(C)(C)C(=O)C(CCCOCc1cccc(Cl)c1F)n1cncn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CYP3A4 P08684 3/20 0.41
SGMS2 Q8NHU3 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RIPK1 Q13546 1/20 0.32
TSHR P16473 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HSP90AA1 P07900 2/20 0.31
POLB P06746 1/20 0.31
CYP26A1 O43174 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
P2RX7 Q99572 1/20 0.31
KLKB1 P03952 2/20 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
SCHEMBL1966218 0.82 MEN1 (0.48) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1968942 0.76 MAPT (0.52) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1966676 0.74 MAPT (0.54) MAPTCYP3A4KMT2AMEN1HSP90AA1
SCHEMBL1963735 0.74 MAPT (0.54) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL10666615 0.73 MAPT (0.55) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1922846 0.72 CYP3A4 (0.47) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1970622 0.72 MAPT (0.49) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL10568398 0.72 MAPT (0.62) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1967346 0.71 MAPT (0.56) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL2182860 0.70 MAPT (0.47) MAPTCYP3A4KMT2AMEN1TDP1

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-20110172096-A1 Triazole Compounds, The Use Thereof and Preparations Containing These Compounds BASF SE (DE) 2011-07-14 US disclosed
EP-2334654-A1 TRIAZOLE COMPOUNDS, THE USE THEREOF AND PREPARATIONS CONTAINING THESE COMPOUNDS BASF SE (DE) 2011-06-22 EP disclosed
WO-2010029002-A1 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-20110172096-A1 Triazole Compounds, The Use Thereof and Preparations Containing These Compounds CYP11B2, CYP3A43, CYP3A5 MAPT 1345/4885CYP3A4 10/4885SGMS2 1444/4885

“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.