SCHEMBL21703801

SCHEMBL21703801

Brc1cccc2c3c(ccc12)Cc1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
MAOA P21397 1/20 0.38
POLB P06746 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL4848751 0.85 MAOA (0.50) MAOAPOLBHTR2BALDH1A1KDM4E
SCHEMBL347717 0.82 MAOA (0.41) MAOAPOLBHTR2BALDH1A1KDM4E
SCHEMBL30430068 0.81 MAOA (0.46) PNMTMAOAPOLBHTR2BALDH1A1
SCHEMBL16201572 0.80 CDK1 (0.41) PNMTMAOAPOLBHTR2BALDH1A1
SCHEMBL19494737 0.80 MAOA (0.45) PNMTMAOAPOLBHTR2BALDH1A1
SCHEMBL18156795 0.78 MAOA (0.43) PNMTMAOAPOLBHTR2BALDH1A1
SCHEMBL4847777 0.77 HPRT1 (0.50) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL16201578 0.75 POLB (0.33) PNMTMAOAPOLBHTR2BALDH1A1
SCHEMBL30403300 0.74 MAOA (0.56) MAOAPOLBHTR2BALDH1A1KDM4E
SCHEMBL13562173 0.74 TDP1 (0.40) MAOAALDH1A1KDM4ENPC1LMNA

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-20230247898-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-08-03 US disclosed
US-20230247898-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-08-03 US disclosed
US-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-05-16 US disclosed
US-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-05-16 US disclosed
WO-2020032574-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-13 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-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OPA1, ODC1, TMEM109 PNMT 911/4885MAOA 294/4885POLB 1149/4885
US-20230247898-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OPA1, ODC1, TMEM109 PNMT 911/4885MAOA 294/4885POLB 1149/4885

“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.