SCHEMBL1114571

SCHEMBL1114571

CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)O)[C@@H](CCCCCCCCCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCCCCCC[C@H](O)[C@@H](C)CCCCCCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
TBXA2R P21731 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER2 P43116 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PTPN1 P18031 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TBXAS1 P24557 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
MMP3 P08254 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
SCHEMBL657947 0.92 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL657946 0.92 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL1246039 0.85 ALOX5 (0.39) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL2030947 0.83 ALOX5 (0.32) ALOX5
SCHEMBL2030946 0.83 ALOX5 (0.32) ALOX5
SCHEMBL658527 0.82 ALOX5 (0.40) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL12557266 0.82 ALOX5 (0.49) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL12557162 0.82 ALOX5 (0.49) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL12557192 0.82 ALOX5 (0.49) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL12557211 0.78 ALOX5 (0.43) ALOX5TBXA2RPTGFRPTGER2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889894-B2 Compounds for use in therapy BANGOR UNIVERSITY (GB) 2014-11-18 US disclosed
US-8728515-B2 Adjuvants for use in vaccination BANGOR UNIVERSITY (GB) 2014-05-20 US disclosed
EP-2620158-A1 Adjuvants for use in vaccination Bangor University (GB) 2013-07-31 EP disclosed
US-20110150981-A1 Compounds for Use in Therapy BANGOR UNIVERSITY (GB) 2011-06-23 US disclosed
US-20110142916-A1 Adjuvants for Use in Vaccination BANGOR UNIVERSITY (GB) 2011-06-16 US disclosed
EP-2278995-A2 COMPOUNDS FOR USE IN THERAPY Bangor University (GB) 2011-02-02 EP disclosed
EP-2278996-A1 ADJUVANTS FOR USE IN VACCINATION Bangor University (GB) 2011-02-02 EP disclosed
WO-2009130506-A2 COMPOUNDS FOR USE IN THERAPY BANGOR UNIVERSITY (GB) 2009-10-29 WO disclosed
WO-2009130508-A1 ADJUVANTS FOR USE IN VACCINATION BANGOR UNIVERSITY (GB) 2009-10-29 WO 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 (2 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-20110142916-A1 Adjuvants for Use in Vaccination NR1H3, NR1H2, INTS6 ALOX5 663/4885TBXA2R 1770/4885PTGFR 4566/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST ALOX5 186/4885TBXA2R 887/4885PTGFR 4016/4885

“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.