SCHEMBL16884496

SCHEMBL16884496

CC(C)Oc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.69
▸ ALOX15 P16050 4/20 0.69
▸ MAPT P10636 3/20 0.69
▸ HSD17B10 Q99714 3/20 0.69
▸ RECQL P46063 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ GAA P10253 2/20 0.69
▸ ALOX12 P18054 2/20 0.69
▸ HIF1A Q16665 2/20 0.69
▸ SOST Q9BQB4 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ CYP2C9 P11712 4/20 0.62
▸ SLCO1B3 Q9NPD5 4/20 0.62
▸ SLCO1B1 Q9Y6L6 4/20 0.62
▸ SLCO2B1 O94956 3/20 0.62

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
SCHEMBL16884531 0.91 CYP3A4 (0.69) CYP3A4ALOX15MAPTHSD17B10RECQL
Dihydroisorhamnetin SCHEMBL16887921 0.87 CYP2C9 (0.78) CYP3A4ALOX15MAPTHSD17B10RECQL
Dihydroisorhamnetin SCHEMBL30915472 0.87 CYP2C9 (0.78) CYP3A4ALOX15MAPTHSD17B10RECQL
Dihydroisorhamnetin SCHEMBL31237482 0.87 CYP2C9 (0.78) CYP3A4ALOX15MAPTHSD17B10RECQL
Dihydroisorhamnetin SCHEMBL30255782 0.87 CYP2C9 (0.78) CYP3A4ALOX15MAPTHSD17B10RECQL
SCHEMBL23353527 0.87 CYP3A4 (0.69) CYP3A4ALOX15MAPTHSD17B10RECQL
SCHEMBL16884474 0.87 CYP3A4 (0.69) CYP3A4ALOX15MAPTHSD17B10RECQL
SCHEMBL19789557 0.85 XDH (0.70) CYP3A4ALOX15MAPTHSD17B10RECQL
SCHEMBL16884478 0.83 CYP3A4 (0.70) CYP3A4ALOX15MAPTHSD17B10RECQL
SCHEMBL23353528 0.83 CYP3A4 (0.70) CYP3A4ALOX15MAPTHSD17B10RECQL

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 CYP3A4 2126/4885ALOX15 686/4885MAPT 5/4885

“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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