SCHEMBL13293105

SCHEMBL13293105

CCCCC[C@@H](C)/C=C/Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
TRPA1 O75762 1/20 0.36
DDAH1 O94760 1/20 0.36
GAPDH P04406 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
DNM1 Q05193 2/20 0.33

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
SCHEMBL11785440 0.82 OPRM1 (0.48) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL12190643 0.81 CA1 (0.45) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL7863906 0.80
SCHEMBL11485519 0.78 OPRM1 (0.50) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL11484774 0.78 OPRM1 (0.50) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL2009295 0.78 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL2009292 0.78 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL17533478 0.77 ADH1B (0.39) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL2001375 0.76 OPRM1 (0.42) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL2118871 0.76 OPRM1 (0.42) OPRM1ADH1BADH1CADH1AADH4

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-20100152290-A1 Benzo Lipoxin Analogues UNIVERSITY OF SOUTHERN CALIFORNIA 2010-06-17 US disclosed
US-7683193-B2 Inflammation, autoimmune disease and abnormal cell proliferation; analogs of 15-epi-lipoxin A4; e.g. (5S,6R,E)-methyl 5,6-dihydroxy-8-(2-(1-hydroxyhexyl)phenyl)oct-7-enoate UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-03-23 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 (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-20100152290-A1 Benzo Lipoxin Analogues ALOX15B, ALOX12, ALOX15 OPRM1 4361/4885ADH1B 1049/4885ADH1C 2324/4885

“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.