SCHEMBL19999737

SCHEMBL19999737

Cc1ccc2c(c1)O[C@@H]1c3ccc(O)cc3OC[C@H]21

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.67
▸ MAOB P27338 2/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ PTPN1 P18031 3/20 0.58
▸ MGAM O43451 1/20 0.52
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
Medicarpin SCHEMBL2812444 0.91 MAOA (0.78) MAOAMAOBCYP3A4PTPN1MGAM
Demethylmedicarpin SCHEMBL31663447 0.91 MAOA (0.78) MAOAMAOBCYP3A4PTPN1MGAM
Demethylmedicarpin SCHEMBL29843376 0.91 MAOA (0.78) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL12891390 0.84 MAPT (0.47) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL232991 0.84 CYP3A4 (0.68) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL72476 0.83 MAPT (0.70) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL29572230 0.83 MAPT (0.70) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL19999732 0.83 MAPT (0.70) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL12912390 0.83 MAPT (0.70) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL31039664 0.83 MAPT (0.70) MAOAMAOBCYP3A4PTPN1MGAM

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-20180086772-A1 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF PHYTOHEALTH CORPORATION (TW) 2018-03-29 — — 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-20180086772-A1 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF SHARPIN, TIPARP, MYADM MAOA 1263/4885MAOB 1213/4885CYP3A4 243/4885

“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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