SCHEMBL6844835

SCHEMBL6844835

COC(=O)c1ccc(Cc2ccc(CF)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CYP4A11 Q02928 2/20 0.54
CYP4F2 P78329 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CA7 P43166 1/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
AR P10275 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3111391 0.94 LOXL2 (0.66) LOXL2CA1CA2CA12CA9
SCHEMBL69454 0.90 LOXL2 (0.70) LOXL2CA1CA2CA12CA9
SCHEMBL481297 0.83 LOXL2 (0.61) LOXL2CA1CA2CA12CA9
SCHEMBL31147141 0.83 LOXL2 (0.61) LOXL2CA1CA2CA12CA9
SCHEMBL16155876 0.83 TDP1 (0.77) LOXL2CA1CA2CA12CA9
SCHEMBL6158387 0.83 TSHR (0.67) LOXL2CA1CA2CA12CA9
SCHEMBL12856272 0.83 KMT2A (0.73) LOXL2CA1CA2CA12CA9
SCHEMBL7411710 0.81 NPC1 (0.60) LOXL2CA1CA2CA12CA9
SCHEMBL4245233 0.81 LOXL2 (0.65) LOXL2CA1CA2CA12CA9
SCHEMBL481090 0.81 LOXL2 (0.59) LOXL2CA1CA2CA12CA9

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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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 (2 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-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA LOXL2 484/4885CA1 4624/4885CA2 2746/4885
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA LOXL2 484/4885CA1 4624/4885CA2 2746/4885

“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.