SCHEMBL12893115

SCHEMBL12893115

CCCCCCCCCCCC[N+](C)(CCCSOOO)Cc1ccc2oc(-c3ccc(N(CC)CC)cc3)c(O)c(=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.38
▸ MAPT P10636 9/20 0.38
▸ TP53 P04637 7/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CSNK2A2 P19784 4/20 0.35
▸ CSNK2B P67870 4/20 0.35
▸ CSNK2A1 P68400 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CDK2 P24941 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL12893120 0.90 ABCB1 (0.43) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL12918131 0.85 ABCB1 (0.40) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL2323461 0.75 ABCB1 (0.45) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL1259555 0.73 MAPT (0.51) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL2323455 0.70 CSNK2A2 (0.45) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL2329785 0.69 MAPT (0.42) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL30888820 0.66 TP53 (0.67) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL19833677 0.66 TP53 (0.67) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL17940134 0.65 MAPT (0.49) ABCB1MAPTTP53RXFP1KDM4E
SCHEMBL4035228 0.64 ABCB1 (0.58) ABCB1MAPTTP53RXFP1KDM4E

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-7880021-B2 reacting 6-bromomethyl-4'-(diethylamino)-3-hydroxyflavone with dodecylmethylamine to form the corresponding tertiary amine (4'-(diethylamino)-6-(dodecyl(methyl)aminomethyl)-3-hydroxyflavone); and reacting the product of step a. with propansultone; use in biomembrane studies; Alzheimer's disease, cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-02-01 — — US disclosed
US-20090269793-A1 Compounds and Kits for the Detection and the Quantification of Cell Apoptosis Centre National De La Recherche Scientifiique (CNRS) 2009-10-29 — — 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-20090269793-A1 Compounds and Kits for the Detection and the Quantification of Cell Apoptosis BAX, CASP3, BCL2 ABCB1 1401/4885MAPT 4847/4885TP53 160/4885

“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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