SCHEMBL6806596

SCHEMBL6806596

CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)c3ccc(CCN(Cc4ccccc4)CC(O)c4cccc(Cl)c4)cc3)cc2O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ADRB3 P13945 5/20 0.37
ADRB1 P08588 4/20 0.37
ALOX5 P09917 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CA2 P00918 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB2 P07550 1/20 0.34

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
SCHEMBL6540404 0.94 TP53 (0.41) TP53ADRB3ADRB1POLBALDH1A1
SCHEMBL6802965 0.93 TP53 (0.43) TP53ADRB3ADRB1POLBALDH1A1
SCHEMBL6540859 0.91 TP53 (0.45) TP53ADRB3ADRB1POLBALDH1A1
SCHEMBL6540854 0.91 TP53 (0.45) TP53ADRB3ADRB1POLBALDH1A1
SCHEMBL6805378 0.89 TP53 (0.42) TP53ADRB3ADRB1POLBALDH1A1
SCHEMBL6540284 0.89 TP53 (0.52) TP53ADRB3ADRB1POLBALDH1A1
SCHEMBL6540279 0.89 TP53 (0.52) TP53ADRB3ADRB1POLBALDH1A1
SCHEMBL6540385 0.89 ADRB1 (0.46) TP53ADRB3ADRB1POLBMAPT
SCHEMBL6677034 0.88 ADRB3 (0.44) TP53ADRB3ADRB1POLBALDH1A1
SCHEMBL6803249 0.88 TP53 (0.40) TP53ADRB3ADRB1POLBALDH1A1

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 TP53 3318/4885ADRB3 150/4885ADRB1 39/4885

“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.