SCHEMBL16387753

SCHEMBL16387753

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.44
▸ TKT P29401 10/20 0.39
▸ PPP5C P53041 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19598910 0.86 HSP90AA1 (0.44) HSP90AA1TKTPPP5CTDP1LMNA
SCHEMBL19598908 0.73 PPP5C (0.50) HSP90AA1TKTPPP5CTDP1KDM4E
SCHEMBL13741567 0.72 TKT (0.68) HSP90AA1TKTPPP5CTDP1KDM4E
Hydrochloric Acid SCHEMBL2949884 0.71 TKT (0.69) HSP90AA1TKTPPP5CTDP1KDM4E
Hydrochloric Acid SCHEMBL14637039 0.70 HSP90AA1 (0.61) HSP90AA1TKTPPP5CTDP1KDM4E
Hydrochloric Acid SCHEMBL18879467 0.70 HSP90AA1 (0.60) HSP90AA1TKTPPP5CTDP1KDM4E
Hydrochloric Acid SCHEMBL5940670 0.68 HSP90AA1 (0.57) HSP90AA1TKTPPP5CTDP1LMNA
SCHEMBL13741845 0.68 TKT (0.71) HSP90AA1TKTPPP5CTDP1KDM4E
Hydrochloric Acid SCHEMBL4355811 0.67 TKT (0.70) HSP90AA1TKTPPP5CTDP1KDM4E
Hydrochloric Acid SCHEMBL19553812 0.64 HSP90AA1 (0.52) HSP90AA1TKTPPP5CTDP1LMNA

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 HSP90AA1 2246/4885TKT 78/4885PPP5C 3720/4885

“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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