SCHEMBL12663183

SCHEMBL12663183

COc1ccc(Oc2cccc(Oc3ccc(B(O)O)cc3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.56
LTA4H P09960 2/20 0.53
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51

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
SCHEMBL257918 0.96 ENPP2 (0.65) ENPP2CA1CA2SMN1; SMN2LTA4H
SCHEMBL5836185 0.89 CA2 (0.86) ENPP2CA1CA2LTA4HTUBB4A
SCHEMBL4608736 0.84 SMN1; SMN2 (0.73) CA1CA2SMN1; SMN2LTA4HMTNR1B
SCHEMBL10047630 0.83 CA2 (0.76) ENPP2CA1CA2SMN1; SMN2LTA4H
SCHEMBL11049862 0.82 SMN1; SMN2 (0.77) CA1CA2SMN1; SMN2LTA4HMTNR1B
SCHEMBL4673 0.82 CA2 (1.00) ENPP2CA1CA2LTA4HTUBB4A
SCHEMBL257603 0.82 CA2 (0.63) ENPP2CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL257986 0.82 CA1 (0.63) ENPP2CA1CA2SMN1; SMN2PGR
SCHEMBL257607 0.81 CA1 (0.58) ENPP2CA1CA2SMN1; SMN2MTNR1B
SCHEMBL15834450 0.81 LTA4H (0.82) SMN1; SMN2LTA4HMTNR1BMTNR1APGR

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-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 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 (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-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ENPP2 36/4885CA1 908/4885CA2 1331/4885

“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.