SCHEMBL17885706

SCHEMBL17885706

Cc1cc(-c2coc3cc(O)c(O)c(O)c3c2=O)cc(O)c1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.81
▸ CYP3A4 P08684 5/20 0.81
▸ MAPT P10636 5/20 0.81
▸ HPGD P15428 5/20 0.81
▸ MEN1 O00255 5/20 0.81
▸ KMT2A Q03164 5/20 0.81
▸ ALOX15 P16050 3/20 0.81
▸ HSD17B10 Q99714 3/20 0.81
▸ TDP1 Q9NUW8 2/20 0.81
▸ BLM P54132 2/20 0.81
▸ KDM4E B2RXH2 2/20 0.81
▸ RECQL P46063 2/20 0.81
▸ APEX1 P27695 1/20 0.81
▸ PTPRS Q13332 1/20 0.81
▸ RGS17 Q9UGC6 1/20 0.81
▸ PTPN1 P18031 5/20 0.53
▸ EGFR P00533 2/20 0.51
▸ ABCB1 P08183 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TP53 P04637 3/20 0.46

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
Irigenol SCHEMBL2465996 0.90 MAPT (1.00) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL16432690 0.81 ALOX15 (0.78) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL13279932 0.79 MAPT (0.75) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL737653 0.79 ALDH1A1 (0.75) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL30525493 0.79 MAPT (0.75) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL3385694 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL28740045 0.78 PTPN1 (0.70) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL6349946 0.77 MEN1 (0.58) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL29931737 0.77 ABCB1 (0.75) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL18326541 0.73 EGFR (0.60) ALDH1A1CYP3A4MAPTHPGDMEN1

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-20160185843-A1 TREATING ALCOHOL-MEDIATED DISORDERS BY INHIBITION OF RGS6 UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-06-30 — — 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-20160185843-A1 TREATING ALCOHOL-MEDIATED DISORDERS BY INHIBITION OF RGS6 RGS4, RGS16, ADH1A ALDH1A1 252/4885CYP3A4 2324/4885MAPT 2896/4885

“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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