SCHEMBL22548702

SCHEMBL22548702

CCCCCCCCCCCCCCCC(=O)CNCCOCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 6/20 0.68
▸ ALOX5 P09917 6/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MMP1 P03956 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ SRC P12931 1/20 0.49
▸ TOP2A P11388 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL20630798 0.89 POLH (0.70) POLHALOX5KDM4EMEN1MMP1
SCHEMBL20630738 0.89 POLH (0.70) POLHALOX5KDM4EMEN1MMP1
SCHEMBL20630985 0.86 POLH (0.64) POLHALOX5KDM4EMEN1MMP1
SCHEMBL20631347 0.86 POLH (0.63) POLHALOX5KDM4EMEN1MMP1
SCHEMBL31236658 0.84 POLH (0.92) POLHALOX5KDM4EMEN1MMP1
SCHEMBL20630781 0.84 POLH (0.92) POLHALOX5KDM4EMEN1MMP1
SCHEMBL20630786 0.84 POLH (0.92) POLHALOX5KDM4EMEN1MMP1
SCHEMBL31236655 0.84 POLH (0.92) POLHALOX5KDM4EMEN1MMP1
SCHEMBL20631336 0.83 POLH (0.64) POLHALOX5KDM4EMEN1MMP1
SCHEMBL24497194 0.82 POLH (0.72) POLHALOX5KDM4EMEN1MMP1

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-20200323814-A1 MEDICAL COMPOUND VERA SALUS RICERCA S.R.L. (IT) 2020-10-15 — — 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-20200323814-A1 MEDICAL COMPOUND MTNR1B, CBR1, MTNR1A POLH 3942/4885ALOX5 730/4885KDM4E 3339/4885

“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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