SCHEMBL1246039

SCHEMBL1246039

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PTGER2 P43116 2/20 0.36
TBXA2R P21731 1/20 0.36
PTGFR P43088 1/20 0.36
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TBXAS1 P24557 1/20 0.32
HPSE Q9Y251 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
FFAR1 O14842 1/20 0.31
TSHR P16473 2/20 0.31
PTGER4 P35408 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCC3 O15438 1/20 0.31

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
SCHEMBL657946 0.91 ALOX5 (0.44) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL657947 0.91 ALOX5 (0.44) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL1114571 0.85 ALOX5 (0.38) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL658527 0.81 ALOX5 (0.40) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL658528 0.81 ALOX5 (0.39) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL2030946 0.81 ALOX5 (0.32) ALOX5
SCHEMBL2030947 0.81 ALOX5 (0.32) ALOX5
SCHEMBL1981267 0.79 ALOX5 (0.48) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL1114460 0.79 ALOX5 (0.48) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL12557161 0.79 ALOX5 (0.48) ALOX5PTGER2TBXA2RPTGFRALDH1A1

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 6 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
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
WO-2009130506-A2 COMPOUNDS FOR USE IN THERAPY 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 663/4885PTGER2 3030/4885TBXA2R 1770/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST ALOX5 186/4885PTGER2 2624/4885TBXA2R 887/4885

“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.