SCHEMBL13466305

SCHEMBL13466305

CCCCCC(=O)OCC1O[C@H](O[C@H]2O[C@H](COCCCC)[C@@H](OCCCC)C(OCCCC)C2OCCCC)C(OCCCC)C(OCCCC)[C@@H]1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.41
▸ GJB2 P29033 4/20 0.40
▸ TLR4 O00206 2/20 0.40
▸ DGKA P23743 1/20 0.39
▸ HPSE Q9Y251 4/20 0.38
▸ FGF1 P05230 3/20 0.38
▸ FGF2 P09038 3/20 0.38
▸ LPAR1 Q92633 2/20 0.37
▸ LPAR3 Q9UBY5 2/20 0.37

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
SCHEMBL12837370 1.00 TNF (0.41) TNFGJB2TLR4DGKAHPSE
SCHEMBL12837368 0.94 TLR4 (0.42) TNFTLR4DGKAHPSEFGF1
SCHEMBL12837128 0.81 GJB2 (0.45) TNFGJB2HPSEFGF1FGF2
SCHEMBL13444803 0.81 GJB2 (0.43) TNFGJB2TLR4HPSEFGF1
SCHEMBL18311512 0.80 GJB2 (0.49) TNFGJB2TLR4HPSEFGF1
SCHEMBL19479699 0.80 TNF (0.42) TNFTLR4HPSEFGF1FGF2
SCHEMBL15999882 0.80 TLR4 (0.65) TNFGJB2TLR4HPSEFGF1
SCHEMBL15756255 0.80 TLR4 (0.65) TNFGJB2TLR4HPSEFGF1
SCHEMBL15756211 0.80 TLR4 (0.65) TNFGJB2TLR4HPSEFGF1
SCHEMBL15756236 0.80 TLR4 (0.65) TNFGJB2TLR4HPSEFGF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263649-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2012-10-18 — — 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 (1 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-20120263649-A1 DETECTION OF MYCOBACTERIA LY96, MICA, CD74 TNF 3603/4885GJB2 3072/4885TLR4 2439/4885

“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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