SCHEMBL12368107

SCHEMBL12368107

COc1c(O)c(C)c2c(c1OC)O[C@](C)(CCC=C(C)C)C=C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ APP P05067 2/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ IDE P14735 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ PNLIP P16233 1/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 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
SCHEMBL27417834 0.94 APP (0.58) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL12368110 0.86 APP (0.49) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL9321549 0.84 ALOX5 (0.58) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL27414830 0.78 APP (0.63) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL27160316 0.78 APP (0.63) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL27160317 0.78 APP (0.63) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL27160318 0.78 APP (0.63) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL27417832 0.73 APP (0.58) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL23987190 0.73 APP (0.63) ALOX5PTGS1APPMAPTKMT2A
SCHEMBL23987113 0.72 ALOX5 (0.59) ALOX5PTGS1APPMAPTKMT2A

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-7999004-B2 Alpha -tocopherol, hydro-Q9 chromene, coenzyme Q9, cycloartane, 1-Feruloyl glycerol; activates estrogen receptors; improving menopause symptoms NATIONAL TAIWAN UNIVERSITY (TW) 2011-08-16 — — US disclosed
US-20080193432-A1 Compounds Having Estrogenic Activity NATIONAL TAIWAN UNIVERSITY (TW) 2008-08-14 — — 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-20080193432-A1 Compounds Having Estrogenic Activity ESRRA, ESRRG, ESR2 ALOX5 664/4885PTGS1 235/4885APP 2910/4885

“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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