SCHEMBL589126

SCHEMBL589126

COC(=O)CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/c1ccccc1Br)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FPR2 P25090 4/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.32
BACE1 P56817 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APP P05067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30

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
SCHEMBL589128 1.00 LY96 (0.36) LY96NFKB1NFKB2RELACYP2C9
SCHEMBL589127 1.00 LY96 (0.36) LY96NFKB1NFKB2RELACYP2C9
SCHEMBL22955561 0.91 CYP2C9 (0.36) LY96NFKB1NFKB2RELACYP2C9
SCHEMBL588351 0.84 NFKB1 (0.41) NFKB1NFKB2RELAFPR2ALDH1A1
SCHEMBL22955985 0.84 NFKB1 (0.41) NFKB1NFKB2RELAFPR2ALDH1A1
SCHEMBL588350 0.84 NFKB1 (0.41) NFKB1NFKB2RELAFPR2ALDH1A1
SCHEMBL588353 0.84 NFKB1 (0.41) NFKB1NFKB2RELAFPR2ALDH1A1
SCHEMBL588352 0.84 NFKB1 (0.41) NFKB1NFKB2RELAFPR2ALDH1A1
SCHEMBL29564631 0.84 NFKB1 (0.41) NFKB1NFKB2RELAFPR2ALDH1A1
SCHEMBL18532132 0.83 NFKB1 (0.39) NFKB1NFKB2RELAFPR2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322102-B2 Benzo lipoxin analogues UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-06-18 US disclosed
US-20170172967-A1 Benzo Lipoxin Analogues UNIVERSITY OF SOUTHERN CALIFORNIA 2017-06-22 US disclosed
US-9573880-B2 Benzo lipoxin analogues UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-02-21 US disclosed
US-20150073047-A1 Benzo Lipoxin Analogues UNIVERSITY OF SOUTHERN CALIFORNIA 2015-03-12 US disclosed
US-8802881-B2 Benzo lipoxin analogues UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-08-12 US disclosed
US-20120142772-A1 Benzo Lipoxin Analogues UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-06-07 US disclosed
US-8115023-B2 Benzo lipoxin analogues UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-02-14 US disclosed
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
US-20060270734-A1 Benzo lipoxin analogues UNIVERSITY OF SOUTHERN CALIFORNIA 2006-11-30 US disclosed
US-20050203184-A1 Benzo lipoxin analogues PETASIS NICOS A (US) 2005-09-15 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 (7 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-20150073047-A1 Benzo Lipoxin Analogues ALOX15B, ALOX12, ALOX15 LY96 246/4885NFKB1 175/4885NFKB2 265/4885
US-20050203184-A1 Benzo lipoxin analogues ALOX15B, ALOX12, ALOX15 LY96 246/4885NFKB1 175/4885NFKB2 265/4885
US-20170172967-A1 Benzo Lipoxin Analogues ALOX15B, ALOX12, ALOX15 LY96 246/4885NFKB1 175/4885NFKB2 265/4885
US-20120142772-A1 Benzo Lipoxin Analogues ALOX15B, ALOX12, ALOX15 LY96 246/4885NFKB1 175/4885NFKB2 265/4885
US-20100152290-A1 Benzo Lipoxin Analogues ALOX15B, ALOX12, ALOX15 LY96 246/4885NFKB1 175/4885NFKB2 265/4885
US-10322102-B2 Benzo lipoxin analogues ALOX15B, ALOX12, ALOX15 LY96 246/4885NFKB1 175/4885NFKB2 265/4885
US-20060270734-A1 Benzo lipoxin analogues ALOX15B, ALOX12, ALOX15 LY96 246/4885NFKB1 175/4885NFKB2 265/4885

“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.