SCHEMBL16887994

SCHEMBL16887994

COc1cc(O)cc2c1C(=O)C(O)C(c1ccc(O)c(O)c1)O2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.73
▸ CYP3A4 P08684 4/20 0.73
▸ ALOX15 P16050 4/20 0.73
▸ MAPT P10636 3/20 0.73
▸ HSD17B10 Q99714 3/20 0.73
▸ RECQL P46063 2/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ GAA P10253 2/20 0.73
▸ ALOX12 P18054 2/20 0.73
▸ HIF1A Q16665 2/20 0.73
▸ POLB P06746 1/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ SOST Q9BQB4 1/20 0.73
▸ ALDH1A1 P00352 3/20 0.63
▸ SYNJ2 O15056 2/20 0.62
▸ CYP2C9 P11712 4/20 0.60

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
SCHEMBL28460634 0.93 CYP2C9 (0.68) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL28024600 0.89 ALDH1A1 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL13750522 0.89 ALDH1A1 (0.63) XDHCYP3A4ALOX15MAPTHSD17B10
(+)-Taxifolin SCHEMBL18131936 0.88 CYP3A4 (0.90) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL23353527 0.87 CYP3A4 (0.69) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL16884474 0.87 CYP3A4 (0.69) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL1066027 0.87 XDH (0.56) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL10335311 0.87 XDH (0.67) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL6565198 0.86 ALDH1A1 (0.60) XDHCYP3A4ALOX15MAPTHSD17B10
Tamaraxetin SCHEMBL18235875 0.86 CYP3A4 (0.73) XDHCYP3A4ALOX15MAPTHSD17B10

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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF BISCAYNE NEUROTHERAPEUTICS, INC. 2015-07-09 — — 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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF HTT, HNMT, GAP43 XDH 341/4885CYP3A4 2126/4885ALOX15 686/4885

“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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