SCHEMBL657946

SCHEMBL657946

CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)O)[C@@H](CCCCCCCCCCC[C@H]1C[C@H]1CCCCCCCCCCCCCC[C@H]1C[C@H]1CCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PTGER2 P43116 2/20 0.35
TBXA2R P21731 1/20 0.35
PTGFR P43088 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
FFAR1 O14842 1/20 0.33
TBXAS1 P24557 1/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
PRKCA P17252 2/20 0.32
PRKCE Q02156 2/20 0.32
HPSE Q9Y251 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL657947 1.00 ALOX5 (0.44) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL1114571 0.92 ALOX5 (0.38) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL1246039 0.91 ALOX5 (0.39) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL658527 0.90 ALOX5 (0.40) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL658528 0.85 ALOX5 (0.39) ALOX5PTGER2TBXA2RPTGFRALDH1A1
SCHEMBL2030947 0.85 ALOX5 (0.32) ALOX5
SCHEMBL2030946 0.85 ALOX5 (0.32) ALOX5
SCHEMBL8896932 0.82 FFAR1 (0.40) TBXA2RFFAR1MAPTPPARDCYP3A4
SCHEMBL8896939 0.82 FFAR1 (0.40) TBXA2RFFAR1MAPTPPARDCYP3A4
SCHEMBL9457346 0.79 GPR84 (0.42) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391634-B1 COMPOSITIONS COMPRISING SUGAR ESTER OF MYCOLIC ACID DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF. BANGOR UNIV (GB) 2019-05-22 EP disclosed
US-9206213-B2 Methods for pathogen detection and disease treatment BANGOR UNIVERSITY (GB) 2015-12-08 US disclosed
US-20140178434-A1 METHOD AND COMPOSITIONS BANGOR UNIVERSITY (GB) 2014-06-26 US disclosed
US-20120045478-A1 METHOD AND COMPOSITIONS BANGOR UNIVERSITY (GB) 2012-02-23 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 (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-20120045478-A1 METHOD AND COMPOSITIONS CYP8B1, CYP21A2, HSD17B7 ALOX5 258/4885PTGER2 4613/4885TBXA2R 3841/4885
US-20140178434-A1 METHOD AND COMPOSITIONS CYP8B1, CYP17A1, HSD3B1 ALOX5 406/4885PTGER2 4753/4885TBXA2R 4060/4885

“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.