SCHEMBL21168205

SCHEMBL21168205

COc1cc2c(cc1O)C1COc3cc(O)ccc3C1O2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.64
▸ MAOB P27338 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PTPN1 P18031 2/20 0.50
▸ MGAM O43451 1/20 0.47
▸ PTGS1 P23219 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TYR P14679 1/20 0.40

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
SCHEMBL31237248 1.00 MAOA (0.64) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL29473025 0.95 MAOA (0.64) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL27182861 0.88 CYP3A4 (0.58) MAOAMAOBCYP3A4MAPTMAPK1
Medicarpin SCHEMBL2812444 0.83 MAOA (0.78) MAOAMAOBCYP3A4MAPTMAPK1
Demethylmedicarpin SCHEMBL29843376 0.83 MAOA (0.78) MAOAMAOBCYP3A4MAPTMAPK1
Demethylmedicarpin SCHEMBL31663447 0.83 MAOA (0.78) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL19999732 0.82 MAPT (0.70) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL12912390 0.82 MAPT (0.70) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL31039664 0.82 MAPT (0.70) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL72476 0.82 MAPT (0.70) MAOAMAOBCYP3A4MAPTMAPK1

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-20190216707-A1 COMPOSITION FOR PREVENTING HAIR LOSS AND PROMOTING HAIR GROWTH, COMPRISING PHYTOESTROGEN AS AN ACTIVE INGREDIENT STEMORE CO., LTD. (KR) 2019-07-18 — — 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-20190216707-A1 COMPOSITION FOR PREVENTING HAIR LOSS AND PROMOTING HAIR GROWTH, COMPRISING PHYTOESTROGEN AS AN ACTIVE INGREDIENT SHBG, CYP19A1, HSD17B11 MAOA 211/4885MAOB 278/4885CYP3A4 1238/4885

“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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