SCHEMBL22013005

SCHEMBL22013005

OB(O)c1cc2ccc3sc4ccccc4c3c2c2c1sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
GPR3 P46089 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MGLL Q99685 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
DUSP3 P51452 1/20 0.35
BLM P54132 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
MCL1 Q07820 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL19961743 0.88 NQO2 (0.41) MAPTGPR3MAOAMGLLKDM4E
SCHEMBL9950434 0.83 MAPT (0.42) MAPTGPR3MGLLKDM4EPOLB
SCHEMBL24172204 0.82 MAPT (0.40) MAPTGPR3MAOAMAOBKDM4E
SCHEMBL25812743 0.82 MAPT (0.42) MAPTGPR3MAOAMAOBKDM4E
SCHEMBL22011437 0.79 GPR3 (0.39) MAPTGPR3MAOAMAOBKDM4E
SCHEMBL24614734 0.79 PTPN1 (0.42) MAPTGPR3MAOAMAOBKDM4E
SCHEMBL24172203 0.78 MAPT (0.36) MAPTGPR3MAOAMAOBKDM4E
SCHEMBL25813282 0.78 L3MBTL1 (0.42) MAPTGPR3MAOAMAOBKDM4E
SCHEMBL22011950 0.77 GPR3 (0.48) MAPTGPR3MAOAMAOBKDM4E
SCHEMBL15003530 0.77 MAPT (0.42) MAPTGPR3MGLLKDM4EPOLB

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-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 WO 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 (2 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 MAPT 4261/4885GPR3 2982/4885MAOA 1223/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 MAPT 4261/4885GPR3 2982/4885MAOA 1223/4885

“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.