SCHEMBL29375421

SCHEMBL29375421

CC(C)=CCc1c(O)ccc(C2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 1.00
HSP90AA1 P07900 1/20 0.76
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
ACHE P22303 1/20 0.55
TYR P14679 1/20 0.52
CACNA1H O95180 3/20 0.50
SOAT2 O75908 1/20 0.49
CACNA1G O43497 1/20 0.48
ESR1 P03372 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLA2G1B P04054 1/20 0.46

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
SCHEMBL5614193 1.00 PTPN1 (1.00) PTPN1HSP90AA1GABRA1GABRB2ACHE
SCHEMBL30288230 0.90 PTPN1 (0.81) PTPN1HSP90AA1GABRA1GABRB2ACHE
SCHEMBL26112000 0.89 PTPN1 (0.81) PTPN1HSP90AA1ACHETYR
SCHEMBL30631321 0.89 PTPN1 (0.81) PTPN1HSP90AA1ACHETYR
SCHEMBL30523853 0.89 PTPN1 (0.81) PTPN1HSP90AA1GABRA1GABRB2TYR
SCHEMBL27013629 0.86 HSP90AA1 (1.00) PTPN1HSP90AA1GABRA1GABRB2ACHE
SCHEMBL30266617 0.86 HSP90AA1 (1.00) PTPN1HSP90AA1GABRA1GABRB2ACHE
Licorisoflavan A SCHEMBL29907989 0.85 PTPN1 (0.88) PTPN1HSP90AA1ACHETYR
SCHEMBL13360710 0.85 PTPN1 (0.74) PTPN1HSP90AA1GABRA1GABRB2ACHE
SCHEMBL31290568 0.84 PTPN1 (0.72) PTPN1HSP90AA1ACHETYRESR1

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 PTPN1 1563/4885HSP90AA1 1177/4885GABRA1 268/4885

“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.