SCHEMBL30987779

SCHEMBL30987779

COc1cccc2c1-c1c3c(cc4c1[C@@H](C2)NCC4)OCO3

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.71
PTPRCAP Q14761 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
KMT2A Q03164 1/20 0.66
MCL1 Q07820 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
BCHE P06276 1/20 0.65
HTR2C P28335 3/20 0.52
DRD1 P21728 3/20 0.52
DRD2 P14416 4/20 0.50
SOST Q9BQB4 1/20 0.48

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
Launobine SCHEMBL28948970 0.85 KDM4E (0.69) DYRK1APTPRCAPKDM4EALDH1A1LMNA
SCHEMBL32690149 0.83 DYRK1A (0.78) DYRK1APTPRCAPKDM4EALDH1A1LMNA
SCHEMBL32690188 0.83 DYRK1A (0.78) DYRK1APTPRCAPKDM4EALDH1A1LMNA
SCHEMBL30637531 0.83 PTPRCAP (0.72) DYRK1APTPRCAPKDM4EALDH1A1LMNA
SCHEMBL29390321 0.83 KDM4E (0.84) DYRK1APTPRCAPKDM4EALDH1A1LMNA
Anonaine SCHEMBL15800852 0.80 PTPRCAP (1.00) DYRK1APTPRCAPKDM4EALDH1A1LMNA
Anonaine SCHEMBL15800856 0.80 PTPRCAP (1.00) DYRK1APTPRCAPKDM4EALDH1A1LMNA
Anonaine SCHEMBL30049091 0.80 PTPRCAP (1.00) DYRK1APTPRCAPKDM4EALDH1A1LMNA
Actinodaphnine SCHEMBL674832 0.79 KDM4E (1.00) DYRK1APTPRCAPKDM4EALDH1A1LMNA
Actinodaphnine SCHEMBL30477775 0.79 KDM4E (1.00) DYRK1APTPRCAPKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4649312-A1 A NOVEL SYSTEM AND METHOD FOR EARLY-STAGE DETECTION OF MULTIPLE CANCERS Predomix Health Sciences Private Limited (SG) 2025-11-19 EP disclosed
WO-2024151217-A1 A NOVEL SYSTEM AND METHOD FOR EARLY-STAGE DETECTION OF MULTIPLE CANCERS PREDOMIX HEALTH SCIENCES PRIVATE LIMITED (SG) 2024-07-18 WO disclosed