SCHEMBL22548862

SCHEMBL22548862

CCCCCCCCCCCCCCCC(=O)NCCc1ccc(OCCCC(=O)NCCOCCO/C(C=O)=C(/Oc2cc(O)cc(O)c2C)c2ccc(O)c(O)c2)c(OCCCC(=O)NCCOCCOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 4/20 0.45
▸ ALOX5 P09917 4/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CAMK2B Q13554 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SRC P12931 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL20630757 0.88 POLH (0.58) POLHALOX5TOP2AACE2CNR1
SCHEMBL20630798 0.80 POLH (0.70) POLHALOX5TOP2ACSNK2A2CSNK2B
SCHEMBL20630738 0.80 POLH (0.70) POLHALOX5TOP2ACSNK2A2CSNK2B
SCHEMBL20631291 0.80 POLH (0.53) POLHALOX5TOP2AACE2CSNK2A2
SCHEMBL20630985 0.78 POLH (0.64) POLHALOX5TOP2ACSNK2A2CSNK2B
SCHEMBL20631347 0.77 POLH (0.63) POLHALOX5TOP2ACSNK2A2CSNK2B
SCHEMBL20631336 0.75 POLH (0.64) POLHALOX5TOP2ACSNK2A2CSNK2B
SCHEMBL20631318 0.75 POLH (0.67) POLHALOX5TOP2ACSNK2A2CSNK2B
SCHEMBL22548702 0.72 POLH (0.68) POLHALOX5TOP2AACE2EPHX2
SCHEMBL20630211 0.72 POLH (0.67) POLHALOX5TOP2ACSNK2A2CSNK2B

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 730/4885TOP2A 4117/4885

“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.

Send feedback