SCHEMBL1114478

SCHEMBL1114478

CCCCCCCCCCCCCCCCCC[C@H](C)[C@H](CCCCCCCCCCCCCCCCCCC1CC1COC(=O)CCC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PRKCA P17252 3/20 0.34
PRKCE Q02156 3/20 0.34
HPSE Q9Y251 1/20 0.33
TLR4 O00206 1/20 0.33
LPAR1 Q92633 3/20 0.32
LPAR3 Q9UBY5 3/20 0.32
TBXA2R P21731 1/20 0.31
PTGFR P43088 1/20 0.31
PTGER2 P43116 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
ENPP2 Q13822 2/20 0.30
NLRP3 Q96P20 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL1114477 1.00 ALOX5 (0.38) ALOX5PRKCAPRKCEHPSETLR4
SCHEMBL1975012 0.83 LPAR1 (0.33) PRKCAPRKCELPAR1ALDH1A1
SCHEMBL1975014 0.83 LPAR1 (0.33) PRKCAPRKCELPAR1ALDH1A1
SCHEMBL1114915 0.79
SCHEMBL1114618 0.79 TRPV1 (0.37) ALOX5TRPV1
SCHEMBL658527 0.78 ALOX5 (0.40) ALOX5PRKCAPRKCEHPSETBXA2R
SCHEMBL658528 0.78 ALOX5 (0.39) ALOX5PRKCAPRKCEHPSELPAR1
SCHEMBL29255772 0.78 ALOX5 (0.58) ALOX5HPSELPAR1LPAR3ALDH1A1
SCHEMBL657946 0.77 ALOX5 (0.44) ALOX5PRKCAPRKCEHPSETBXA2R
SCHEMBL657947 0.77 ALOX5 (0.44) ALOX5PRKCAPRKCEHPSETBXA2R

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
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

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 663/4885PRKCA 2731/4885PRKCE 2108/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST ALOX5 186/4885PRKCA 3262/4885PRKCE 2663/4885

“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.