SCHEMBL10027711

SCHEMBL10027711

CC[C@H]1C[C@H]1C[C@H]1C[C@H]1C[C@@H](C)[C@@H](CC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.39
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCH P24723 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCZ Q05513 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36
▸ GJB2 P29033 2/20 0.35
▸ SYNJ2 O15056 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ STAT3 P40763 7/20 0.34
▸ GJA1 P17302 1/20 0.34

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
SCHEMBL10027708 0.96 TLR4 (0.41) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL15829725 0.90 TLR4 (0.39) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19268447 0.90 TLR4 (0.39) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL15829726 0.86 TLR4 (0.41) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19268443 0.86 TLR4 (0.41) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19268452 0.86 TLR4 (0.41) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL10027704 0.85 — —
SCHEMBL10027707 0.82 — —
SCHEMBL10027706 0.81 PYGB (0.30) —
SCHEMBL15481358 0.80 TLR4 (0.39) TLR4PRKD3PRKCGPRKCBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TLR4 3372/4885PRKD3 2937/4885PRKCG 2487/4885
US-20140178434-A1 METHOD AND COMPOSITIONS CYP8B1, CYP17A1, HSD3B1 TLR4 2957/4885PRKD3 2683/4885PRKCG 3012/4885

“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.

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