SCHEMBL6717869

SCHEMBL6717869

COC(=O)Cn1c(C)cc2cc(OC)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
DYRK1A Q13627 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL4465081 0.89 MAPT (0.57) MAPTL3MBTL1AKR1C3AKR1C2ALDH1A1
SCHEMBL6720410 0.84 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHSD17B10GAA
SCHEMBL6703464 0.83 KDM4E (0.62) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL1467717 0.83 TDP1 (0.51) MAPTAKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL1422093 0.83 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8366395 0.82 MAPT (0.52) MAPTDYRK1AL3MBTL1ALDH1A1KDM4E
SCHEMBL1757508 0.81 KDM4E (0.59) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL11005495 0.79 GRIK2 (0.61) MAPTDYRK1AL3MBTL1AKR1C3AKR1C2
SCHEMBL9200019 0.77 MTNR1A (0.60) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL6699798 0.76 ALDH1A1 (0.51) MAPTDYRK1AL3MBTL1ALDH1A1KDM4E

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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MAPT 3937/4885DYRK1A 4761/4885L3MBTL1 4859/4885

“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.