SCHEMBL136889

SCHEMBL136889

COc1cc(COC(=O)NOC(=O)CC(C)C)ccc1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
ALOX15 P16050 1/20 0.46
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSD P07339 1/20 0.38
NR3C1 P04150 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LDHA P00338 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL102366 0.77 PTGS1 (0.54) PTGS1LTA4HTSHRSMN1; SMN2NR3C1
SCHEMBL136890 0.77 PTGS1 (0.46) PTGS1LTA4HTSHRMEN1KMT2A
SCHEMBL136888 0.76 MAPK1 (0.57) PTGS1TSHRMEN1KMT2AMAPK1
SCHEMBL101661 0.75 PTGS1 (0.49) PTGS1LTA4HTSHRMEN1KMT2A
SCHEMBL175179 0.75 MEN1 (0.47) PTGS1ALOX15LTA4HTSHRMEN1
SCHEMBL137093 0.75 MEN1 (0.47) PTGS1ALOX15LTA4HTSHRMEN1
SCHEMBL102357 0.74 PTGS1 (0.51) PTGS1TSHRMEN1KMT2ATP53
SCHEMBL2203349 0.74 LTA4H (0.48) PTGS1ALOX15LTA4HTSHRMEN1
SCHEMBL136543 0.74 MEN1 (0.48) PTGS1ALOX15LTA4HTSHRMEN1
SCHEMBL102371 0.74 MGLL (0.52) PTGS1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 US claimed

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 PTGS1 74/4885ALOX15 316/4885LTA4H 16/4885

“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.