SCHEMBL29377397

SCHEMBL29377397

COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3cc4c(cc3[C@@H]1CO2)C=CC(C)(C)O4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 1.00
▸ HSD17B1 P14061 1/20 0.65
▸ SOAT2 O75908 1/20 0.50
▸ SOAT1 P35610 1/20 0.50
▸ PTPN12 Q05209 1/20 0.50
▸ PTPN22 Q9Y2R2 1/20 0.50
▸ TYR P14679 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL32889277 0.80 PTPN1 (0.79) PTPN1HSD17B1TYRACHE
SCHEMBL22948232 0.79 HSD17B1 (1.00) PTPN1HSD17B1
SCHEMBL30260469 0.79 HSD17B1 (1.00) PTPN1HSD17B1
SCHEMBL23483682 0.79 HSD17B1 (1.00) PTPN1HSD17B1
SCHEMBL29384928 0.76 HSD17B1 (0.62) PTPN1HSD17B1
SCHEMBL31237827 0.76 PTPN1 (0.73) PTPN1HSD17B1TYRACHE
SCHEMBL29619822 0.73 PTPN1 (0.67) PTPN1HSD17B1TYR
Isoneorautenol SCHEMBL29887543 0.70 PTPN1 (0.92) PTPN1TYR
Neorautenol SCHEMBL31060647 0.68 PTPN1 (1.00) PTPN1TYR
SCHEMBL20960789 0.66 HSD17B1 (0.61) PTPN1HSD17B1TYRACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12102653-B2 Ligand regulated protein-protein interaction system ST. ANNA KINDERKREBSFORSCHUNG (AT) 2024-10-01 — — US disclosed
CN-118173162-A Method for analyzing jujube kernel compound action mechanism for regulating and treating insomnia based on network pharmacology and molecular docking and application 武汉轻工大学 2024-06-11 — — CN disclosed
US-20240000841-A1 LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM ST ANNA KINDERKREBSFORSCHUNG (AT) 2024-01-04 — — US disclosed
US-11844813-B2 Ligand regulated protein-protein interaction system ST. ANNA KINDERKREBSFORSCHUNG (AT) 2023-12-19 — — US disclosed
US-20220041687-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2022-02-10 — — 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-20220041687-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) CARS1, CD74, HAVCR2 PTPN1 1563/4885HSD17B1 4356/4885SOAT2 3137/4885

“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.

Send feedback