SCHEMBL1114904

SCHEMBL1114904

CCCCCCCCCCCCCCCCCC[C@H](C)[C@H](CCCCCCCCCCCCCCCCCCC1CC1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
LSS P48449 2/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.32
GAA P10253 1/20 0.32
SPHK2 Q9NRA0 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 2/20 0.31
ALDH1A1 P00352 1/20 0.30
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 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
SCHEMBL1114641 0.82 PTPN1 (0.40) MEN1KMT2ASPHK1ALDH1A1
SCHEMBL1114632 0.82 PTPN1 (0.40) MEN1KMT2ASPHK1ALDH1A1
SCHEMBL1114915 0.81
SCHEMBL1114825 0.78 TSHR (0.43)
SCHEMBL1114476 0.78 TSHR (0.43)
SCHEMBL10926505 0.76 GPR84 (0.36) SPHK1
SCHEMBL1114478 0.76 ALOX5 (0.38) MAPTALDH1A1PRKCAPRKCE
SCHEMBL1114477 0.76 ALOX5 (0.38) MAPTALDH1A1PRKCAPRKCE
SCHEMBL1741180 0.75 SPHK1 (0.38) SPHK1
SCHEMBL11899433 0.75 SPHK1 (0.38) SPHK1

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 TP53 3456/4885LSS 1753/4885MAPT 4766/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST TP53 2777/4885LSS 1982/4885MAPT 4322/4885

“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.