SCHEMBL20630757

SCHEMBL20630757

CCCCCCCCCCCCCCCC(=O)NCCc1ccc(OCCCC(=O)NCCOCCOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)c(OCCCC(=O)NCCOCCOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 5/20 0.58
▸ ALOX5 P09917 5/20 0.50
▸ ACE2 Q9BYF1 1/20 0.49
▸ CNR1 P21554 3/20 0.47
▸ TOP2A P11388 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44

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
SCHEMBL20630738 0.91 POLH (0.70) POLHALOX5TOP2AHSD17B10MEN1
SCHEMBL20630798 0.91 POLH (0.70) POLHALOX5TOP2AHSD17B10MEN1
SCHEMBL20631291 0.90 POLH (0.53) POLHALOX5ACE2TOP2AHSD17B10
SCHEMBL22548862 0.88 POLH (0.45) POLHALOX5ACE2CNR1TOP2A
SCHEMBL20630985 0.87 POLH (0.64) POLHALOX5TOP2AHSD17B10MEN1
SCHEMBL20631347 0.86 POLH (0.63) POLHALOX5TOP2AHSD17B10MEN1
SCHEMBL20631318 0.85 POLH (0.67) POLHALOX5TOP2AHSD17B10MEN1
SCHEMBL20631336 0.84 POLH (0.64) POLHALOX5TOP2AHSD17B10MEN1
SCHEMBL20631421 0.83 ACE2 (0.47) ALOX5ACE2CNR1TRPV1CNR2
SCHEMBL20630211 0.82 POLH (0.67) POLHALOX5TOP2AHSD17B10MEN1

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-20200323814-A1 MEDICAL COMPOUND VERA SALUS RICERCA S.R.L. (IT) 2020-10-15 — — US disclosed
WO-2019008537-A9 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2020-02-20 — — WO disclosed
WO-2019008537-A1 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2019-01-10 — — WO 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-20200323814-A1 MEDICAL COMPOUND MTNR1B, CBR1, MTNR1A POLH 3942/4885ALOX5 730/4885ACE2 1167/4885

“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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