SCHEMBL4166841

SCHEMBL4166841

CC(O)Oc1ccc2c(=O)cc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP1A1 P04798 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ABCB1 P08183 1/20 0.50
▸ ACHE P22303 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ TNKS O95271 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47

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
SCHEMBL4161823 0.87 ABCB1 (0.67) MEN1LMNATP53CYP3A4MAPT
SCHEMBL4166843 0.85 CYP1A1 (0.55) CYP1A1CYP1A2L3MBTL1ABCB1ACHE
SCHEMBL4157444 0.84 CYP19A1 (0.63) MEN1TP53CYP3A4KMT2ASMN1; SMN2
SCHEMBL4408819 0.84 CYP1A1 (0.49) MEN1LMNATP53CYP3A4MAPT
SCHEMBL4410884 0.82 CYP1A1 (0.54) CYP1A1CYP1A2L3MBTL1SIGMAR1
SCHEMBL7683484 0.82 CYP1A1 (0.54) CYP1A1CYP1A2L3MBTL1SIGMAR1
SCHEMBL7933562 0.82 CYP3A4 (0.81) MEN1LMNATP53CYP3A4MAPT
SCHEMBL4407561 0.81 CYP1A1 (0.48) MEN1KMT2ACYP1A1CYP1A2L3MBTL1
SCHEMBL4152247 0.81 SIGMAR1 (0.65) CYP1A1CYP1A2SIGMAR1
SCHEMBL4150940 0.81 ABCG2 (0.48) MEN1TP53CYP3A4MAPTKMT2A

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 MEN1 2151/4885LMNA 1184/4885TP53 730/4885
US-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 MEN1 4830/4885LMNA 2889/4885TP53 1834/4885

“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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