SCHEMBL16387754

SCHEMBL16387754

CCCCCCC(O)c1sc(CCO)c(C)[n+]1Cc1cnc(C)nc1N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPP5C P53041 1/20 0.55
▸ TKT P29401 10/20 0.53
▸ HSP90AA1 P07900 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19598908 0.92 PPP5C (0.50) PPP5CTKTHSP90AA1KDM4ETDP1
SCHEMBL13741845 0.86 TKT (0.71) PPP5CTKTHSP90AA1KDM4ETDP1
Hydrochloric Acid SCHEMBL4355811 0.85 TKT (0.70) PPP5CTKTHSP90AA1KDM4ETDP1
Hydrochloric Acid SCHEMBL2949884 0.79 TKT (0.69) PPP5CTKTHSP90AA1KDM4ETDP1
SCHEMBL19598910 0.75 HSP90AA1 (0.44) PPP5CTKTHSP90AA1KDM4ETDP1
Hydrochloric Acid SCHEMBL10978063 0.69 PPP5C (0.43) PPP5CTKTHSP90AA1KDM4ETDP1
Thiamine Ion SCHEMBL465550 0.69 HSP90AA1 (0.71) TKTHSP90AA1KDM4ETDP1
Thiamine Ion SCHEMBL16685322 0.69 HSP90AA1 (0.71) TKTHSP90AA1KDM4ETDP1
Thiamine Ion SCHEMBL29361686 0.69 HSP90AA1 (1.00) TKTHSP90AA1KDM4ETDP1
Thiamine Ion SCHEMBL465553 0.69 HSP90AA1 (0.70) TKTHSP90AA1KDM4ETDP1

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-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-01-08 — — 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-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS ME1, OSGEP, AGL PPP5C 3720/4885TKT 78/4885HSP90AA1 2246/4885

“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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