SCHEMBL29375480

SCHEMBL29375480

CC(C)=CCc1c2c(cc3c1OCC(c1ccc(O)cc1O)C3=O)C=CC(C)(C)O2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.56
PTPN1 P18031 12/20 0.49
HSP90AA1 P07900 1/20 0.46
CYP19A1 P11511 1/20 0.44
BACE1 P56817 2/20 0.43
PTPN22 Q9Y2R2 2/20 0.43
BCHE P06276 1/20 0.43
ALOX5 P09917 1/20 0.43
ALOX12 P18054 1/20 0.43
ACHE P22303 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
PTPN12 Q05209 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
SCHEMBL1546594 0.80 TYR (0.81) TYRPTPN1HSP90AA1CYP19A1
SCHEMBL571650 0.75 HSP90AA1 (0.77) TYRPTPN1HSP90AA1CYP19A1BACE1
Water SCHEMBL1999608 0.74 HSP90AA1 (0.76) TYRPTPN1HSP90AA1CYP19A1BACE1
SCHEMBL30637575 0.73 ODC1 (0.66) TYRPTPN1HSP90AA1BCHESOAT2
SCHEMBL31429817 0.72 PTPN1 (0.56) PTPN1CYP19A1PTPN22SOAT2SOAT1
SCHEMBL30523853 0.70 PTPN1 (0.81) TYRPTPN1HSP90AA1SOAT2
Flemichin D SCHEMBL31753877 0.70 IDO1 (0.70) PTPN1CYP19A1BACE1PTPN22PTGS1
SCHEMBL29377755 0.69 PTPN1 (0.57) TYRPTPN1HSP90AA1BCHESOAT2
SCHEMBL16259003 0.69 ODC1 (0.54) PTPN1HSP90AA1
SCHEMBL31253940 0.69 PTPN1 (0.60) TYRPTPN1HSP90AA1PTPN22ALOX12

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 4 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
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 TYR 3799/4885PTPN1 1563/4885HSP90AA1 1177/4885

“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.