SCHEMBL7689712

SCHEMBL7689712

O=c1c(OCCCCCCCl)c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ABCG2 Q9UNQ0 8/20 0.49
ACE2 Q9BYF1 2/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
PPARG P37231 1/20 0.45
ABCB1 P08183 3/20 0.44
ABCC1 P33527 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7688870 0.96 KCNA3 (0.54) KCNA3TP53MAPTRXFP1ABCG2
SCHEMBL7547760 0.91 KCNA3 (0.54) KCNA3TP53MAPTRXFP1ABCG2
SCHEMBL16150328 0.89 TP53 (0.58) KCNA3TP53MAPTRXFP1ABCG2
SCHEMBL7688926 0.89 KCNA3 (0.53) KCNA3TP53MAPTRXFP1ABCG2
SCHEMBL4158840 0.89 TP53 (0.55) KCNA3TP53MAPTRXFP1ABCG2
SCHEMBL7548319 0.87 MAOB (0.48) KCNA3ABCG2ACE2ABCB1ABCC1
SCHEMBL4166834 0.86 TP53 (0.51) KCNA3TP53MAPTRXFP1ABCG2
SCHEMBL4167435 0.84 ABCG2 (0.70) TP53MAPTRXFP1ABCG2ALDH1A1
SCHEMBL4167438 0.83 KDM4E (0.67) TP53MAPTRXFP1ABCG2ACE2
SCHEMBL3723524 0.82 TP53 (0.53) KCNA3TP53MAPTRXFP1ABCG2

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-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 (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-20020147353-A1 Novel flavonoids H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, ABCC8 KCNA3 1195/4885TP53 730/4885MAPT 4588/4885

“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.