SCHEMBL19489752

SCHEMBL19489752

COC1c2ccccc2-c2ccccc2C1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
GPR3 P46089 2/20 0.46
CYP2D6 P10635 3/20 0.44
HTR2A P28223 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
ACHE P22303 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL17177894 0.84 POLB (0.50) POLBGPR3CYP2D6HTR2ACYP3A4
SCHEMBL30713690 0.82 CYP1A2 (0.49) POLBGPR3CYP2D6HTR2ACYP3A4
SCHEMBL10518378 0.79 GPR3 (0.46) POLBGPR3CYP2D6HTR2ACYP3A4
SCHEMBL24603351 0.76 S1PR1 (0.38) POLBCYP2D6HTR2A
SCHEMBL20920761 0.74 POLB (0.48) POLBGPR3CYP2D6HTR2AACHE
SCHEMBL16866691 0.73 HTR2A (0.47) CYP2D6HTR2ACYP3A4HIF1A
SCHEMBL10079529 0.72 MAPT (0.48) POLBCYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL20999088 0.72 PDE4B (0.39) ACHEALDH1A1LMNAMAPTKMT2A
SCHEMBL18386009 0.72 GPR3 (0.40) POLBGPR3CYP2D6HTR2ACYP3A4
SCHEMBL20795338 0.69 ALDH1A1 (0.36) CYP2D6CYP3A4CYP2C19CYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044327-A1 DHNT MONOMERS AND POLYMER DYES WITH MODIFIED PHOTOPHYSICAL PROPERTIES BECKMAN COULTER, INC. (US) 2024-02-29 WO disclosed
US-20230399565-A1 POLYMER DYES AND USES THEREOF BECKMAN COULTER, INC. 2023-12-14 US disclosed
US-11208527-B2 Photoactive macromolecules and uses thereof BECKMAN COULTER, INC. (US) 2021-12-28 US disclosed
EP-3443049-B1 PHOTOACTIVE MACROMOLECULES AND USES THEREOF BECKMAN COULTER INC (US) 2021-04-14 EP disclosed
US-20190144601-A1 PHOTOACTIVE MACROMOLECULES AND USES THEREOF BECKMAN COULTER, INC. 2019-05-16 US disclosed
WO-2017180998-A2 PHOTOACTIVE MACROMOLECULES AND USES THEREOF BECKMAN COULTER, INC. (US) 2017-10-19 WO disclosed