SCHEMBL101827

SCHEMBL101827

CCCCC(CC)CNC(=O)OCc1ccc(OC(C)=O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PTGS1 P23219 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
EPHX2 P34913 1/20 0.41
TSHR P16473 2/20 0.40
MGLL Q99685 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL102371 0.84 MGLL (0.52) LTA4HPTGS1TRPV1EPHX2MGLL
SCHEMBL102685 0.82 MGLL (0.58) LTA4HPTGS1TRPV1EPHX2MGLL
SCHEMBL101957 0.82 MGLL (0.58) LTA4HPTGS1TRPV1EPHX2MGLL
SCHEMBL102356 0.82 MGLL (0.58) LTA4HPTGS1TRPV1EPHX2MGLL
SCHEMBL101952 0.82 MGLL (0.58) LTA4HPTGS1TRPV1EPHX2MGLL
SCHEMBL102358 0.82 MGLL (0.58) LTA4HPTGS1TRPV1EPHX2MGLL
SCHEMBL102366 0.81 PTGS1 (0.54) LTA4HPTGS1TRPV1EPHX2TSHR
SCHEMBL136890 0.78 PTGS1 (0.46) LTA4HTP53MAPTPTGS1TSHR
SCHEMBL101661 0.76 PTGS1 (0.49) LTA4HPTGS1TRPV1TSHRGLA
SCHEMBL102357 0.76 PTGS1 (0.51) TP53PTGS1TRPV1TSHRL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US claimed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 US claimed
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US disclosed
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US disclosed
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 US disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 US disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 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-20120059007-A1 Pharmacologically-active vanilloid carbamates FAAH, FAAH2, TRPV1 LTA4H 16/4885TP53 3302/4885MAPT 339/4885

“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.