SCHEMBL30645543

SCHEMBL30645543

COc1cc(O)cc2c1[C@@H]1Oc3c(ccc(O)c3CC=C(C)C)[C@@H]1CO2

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.66
▸ PTPN1 P18031 8/20 0.60
▸ TYR P14679 2/20 0.47
▸ ACHE P22303 1/20 0.45

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
SCHEMBL27724151 1.00 HSD17B1 (0.66) HSD17B1PTPN1TYRACHE
SCHEMBL31237827 0.86 PTPN1 (0.73) HSD17B1PTPN1TYRACHE
Phaseollidin SCHEMBL1545850 0.83 PTPN1 (0.77) HSD17B1PTPN1
Phaseollidin SCHEMBL29349654 0.83 PTPN1 (0.77) HSD17B1PTPN1
SCHEMBL23483682 0.80 HSD17B1 (1.00) HSD17B1PTPN1
SCHEMBL22948232 0.80 HSD17B1 (1.00) HSD17B1PTPN1
SCHEMBL30260469 0.80 HSD17B1 (1.00) HSD17B1PTPN1
Erybraedin A SCHEMBL29572007 0.78 PTPN1 (0.76) HSD17B1PTPN1TYR
Erybraedin C SCHEMBL29572548 0.78 PTPN1 (0.77) HSD17B1PTPN1ACHE
SCHEMBL29619822 0.78 PTPN1 (0.67) HSD17B1PTPN1TYR

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-20230414560-A1 COMPOSITIONS AND METHODS FOR TREATING ECZEMA General Nutraceutical Technology LLC 2023-12-28 — — 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-20230414560-A1 COMPOSITIONS AND METHODS FOR TREATING ECZEMA ELANE, TSLP, EPX HSD17B1 298/4885PTPN1 1394/4885TYR 4/4885

“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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