SCHEMBL4152437

SCHEMBL4152437

CN(C)CCCOc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.64
▸ TNKS O95271 1/20 0.58
▸ PARP1 P09874 1/20 0.58
▸ ALOX5 P09917 1/20 0.58
▸ TNKS2 Q9H2K2 1/20 0.58
▸ POLH Q9Y253 1/20 0.58
▸ BCHE P06276 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ CSNK2A2 P19784 1/20 0.55
▸ CSNK2B P67870 1/20 0.55
▸ CSNK2A1 P68400 1/20 0.55
▸ ALDH2 P05091 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54

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
SCHEMBL4160586 0.86 TNKS (0.66) SIGMAR1TNKSPARP1ALOX5TNKS2
SCHEMBL8782097 0.82 SIGMAR1 (0.61) SIGMAR1BCHEACHEALDH2MAOA
SCHEMBL8786723 0.81 SIGMAR1 (0.87) SIGMAR1
SCHEMBL4160578 0.80 CSNK2A2 (0.81) TNKSPARP1ALOX5TNKS2POLH
SCHEMBL4152247 0.79 SIGMAR1 (0.65) SIGMAR1
SCHEMBL8782608 0.77 SIGMAR1 (0.68) SIGMAR1BCHEACHEALDH2MAOA
SCHEMBL4160583 0.76 TNKS (0.64) TNKSPARP1ALOX5TNKS2POLH
SCHEMBL1794203 0.76 XDH (0.67) SIGMAR1BCHEACHE
SCHEMBL1795639 0.75 SIGMAR1 (0.55) SIGMAR1BCHEACHE
SCHEMBL12757263 0.75 CSNK2A2 (0.74) TNKSPARP1ALOX5TNKS2POLH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 — — US claimed
US-20020147353-A1 Novel flavonoids VERENIGING CHRISTELIJK WETENSCHAPPELIJK ANDERWIJS (NL) 2002-10-10 — — 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 (2 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-20020147353-A1 Novel flavonoids H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, ABCC8 SIGMAR1 747/4885TNKS 4638/4885PARP1 2448/4885
US-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 SIGMAR1 2276/4885TNKS 3218/4885PARP1 2524/4885

“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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