SCHEMBL19598910

SCHEMBL19598910

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.44
▸ PPP5C P53041 1/20 0.42
▸ TKT P29401 8/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16387753 0.86 HSP90AA1 (0.44) HSP90AA1PPP5CTKTTDP1LMNA
SCHEMBL19598908 0.74 PPP5C (0.50) HSP90AA1PPP5CTKTTDP1KDM4E
Hydrochloric Acid SCHEMBL2949884 0.72 TKT (0.69) HSP90AA1PPP5CTKTTDP1KDM4E
Hydrochloric Acid SCHEMBL5940670 0.69 HSP90AA1 (0.57) HSP90AA1PPP5CTKTTDP1LMNA
SCHEMBL13741845 0.69 TKT (0.71) HSP90AA1PPP5CTKTTDP1KDM4E
Thiamine Ion SCHEMBL16685322 0.68 HSP90AA1 (0.71) HSP90AA1TKTTDP1LMNAALDH1A1
Hydrochloric Acid SCHEMBL4355811 0.68 TKT (0.70) HSP90AA1PPP5CTKTTDP1KDM4E
Thiamine Ion SCHEMBL29232851 0.67 HSP90AA1 (0.85) HSP90AA1TKTTDP1LMNAALDH1A1
Thiamine Ion SCHEMBL6831590 0.66 HSP90AA1 (0.69) HSP90AA1TKTTDP1LMNAALDH1A1
Thiamine Ion SCHEMBL5329756 0.66 HSP90AA1 (0.69) HSP90AA1TKTTDP1LMNAALDH1A1

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-20170327449-A1 NOVEL PROCESS FOR PREPARING SYNTHESIS INTERMEDIATES USING PRODUCTS OF NATURAL ORIGIN AND USE OF THE INTERMEDIATES OBTAINED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-11-16 — — 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-20170327449-A1 NOVEL PROCESS FOR PREPARING SYNTHESIS INTERMEDIATES USING PRODUCTS OF NATURAL ORIGIN AND USE OF THE INTERMEDIATES OBTAINED ADH7, ADH1B, ADH4 HSP90AA1 1258/4885PPP5C 2421/4885TKT 25/4885

“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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