SCHEMBL1963735

SCHEMBL1963735

CC(C)(C)C(=O)C(CCOCCc1ccccc1F)n1cncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
CYP3A4 P08684 3/20 0.42
CYP19A1 P11511 3/20 0.36
CYP26A1 O43174 3/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP24A1 Q07973 1/20 0.34
PPARG P37231 1/20 0.33
TSHR P16473 1/20 0.32
HSP90AA1 P07900 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1965768 0.83 MAPT (0.56) MAPTCYP3A4CYP19A1CYP26A1KMT2A
SCHEMBL1967149 0.80 MEN1 (0.46) MAPTCYP3A4CYP19A1CYP26A1KMT2A
SCHEMBL10666615 0.78 MAPT (0.55) MAPTCYP3A4CYP19A1KMT2AMEN1
SCHEMBL1966676 0.78 MAPT (0.54) MAPTCYP3A4CYP19A1KMT2AMEN1
SCHEMBL2221110 0.78 MAPT (0.77) MAPTCYP3A4CYP19A1CYP26A1KMT2A
SCHEMBL11181063 0.77 MAPT (0.65) MAPTCYP3A4CYP19A1CYP26A1KMT2A
SCHEMBL1967989 0.74 MAPT (0.47) MAPTCYP3A4CYP26A1KMT2ACYP1A2
SCHEMBL10666115 0.73 MAPT (0.53) MAPTCYP3A4KMT2AMEN1TSHR
SCHEMBL10568398 0.73 MAPT (0.62) MAPTCYP3A4CYP26A1KMT2ACYP1A2
SCHEMBL10666511 0.71 MAPT (0.53) MAPTCYP3A4CYP19A1CYP26A1KMT2A

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-20110172095-A1 Triazole Compounds, Use Thereof and Agents Containing Same BASF SE (DE) 2011-07-14 US disclosed
EP-2334656-A1 TRIAZOLE COMPOUNDS, USE THEREOF, AND AGENTS CONTAINING SAME BASF SE (DE) 2011-06-22 EP disclosed
WO-2010029001-A1 TRIAZOLE COMPOUNDS, USE THEREOF, AND AGENTS CONTAINING SAME 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-20110172095-A1 Triazole Compounds, Use Thereof and Agents Containing Same CYP3A43, CYP3A5, CYP1B1 MAPT 1741/4885CYP3A4 8/4885CYP19A1 62/4885

“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.