SCHEMBL4160586

SCHEMBL4160586

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCCO)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.66
▸ PARP1 P09874 2/20 0.66
▸ ALOX5 P09917 2/20 0.66
▸ TNKS2 Q9H2K2 2/20 0.66
▸ POLH Q9Y253 2/20 0.66
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ST6GAL1 P15907 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ DHODH Q02127 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ FTO Q9C0B1 1/20 0.60
▸ IP6K2 Q9UHH9 1/20 0.60
▸ CSNK2A2 P19784 1/20 0.58
▸ CSNK2B P67870 1/20 0.58

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
SCHEMBL4152437 0.86 SIGMAR1 (0.64) TNKSPARP1ALOX5TNKS2POLH
SCHEMBL7933564 0.83 SIGMAR1 (0.73) TNKSKDM4ECYP3A4MAPTSMN1; SMN2
SCHEMBL4160578 0.83 CSNK2A2 (0.81) TNKSPARP1ALOX5TNKS2POLH
SCHEMBL34405 0.80 TNKS (1.00) TNKSPARP1ALOX5TNKS2POLH
SCHEMBL29678122 0.80 TNKS (1.00) TNKSPARP1ALOX5TNKS2POLH
SCHEMBL4160583 0.79 TNKS (0.64) TNKSPARP1ALOX5TNKS2POLH
SCHEMBL8782354 0.79 BCHE (0.53) TNKSTNKS2KDM4EALDH1A1CYP3A4
SCHEMBL2218499 0.78 POLH (0.75) TNKSPARP1ALOX5TNKS2POLH
SCHEMBL4166843 0.78 CYP1A1 (0.55) ALDH2MAOAMAOBBCHEACHE
SCHEMBL12757263 0.78 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 TNKS 4638/4885PARP1 2448/4885ALOX5 3590/4885
US-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 TNKS 3218/4885PARP1 2524/4885ALOX5 387/4885

“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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