SCHEMBL1114476

SCHEMBL1114476

CCCCCCCCCCCCCCCCCC[C@H](C)[C@H](CCCCCCC=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CA2 P00918 1/20 0.31
PTPN1 P18031 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
SCHEMBL1114825 1.00 TSHR (0.43) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL2566312 0.83 TSHR (0.48) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL2566313 0.83 TSHR (0.48) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL8498824 0.83 TSHR (0.48) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL1114641 0.82 PTPN1 (0.40) TSHRCA2PTPN1
SCHEMBL1114632 0.82 PTPN1 (0.40) TSHRCA2PTPN1
SCHEMBL1978036 0.79 FAAH (0.38) FAAH
SCHEMBL1114915 0.78
SCHEMBL1114904 0.78 TP53 (0.34)
SCHEMBL13737406 0.78 TSHR (0.53) TSHRFAAHTRPV1ADH1BADH1C

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 TSHR 46/4885FAAH 1641/4885TRPV1 3262/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST TSHR 38/4885FAAH 1400/4885TRPV1 3200/4885

“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.