SCHEMBL27201705

SCHEMBL27201705

[SeH]Cc1cccc2ccc3ccccc3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
ACP3 P15309 1/20 0.44
TSHR P16473 2/20 0.44
CYP2A6 P11509 1/20 0.44
MAPK1 P28482 1/20 0.42
MC5R P33032 1/20 0.42
HPRT1 P00492 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL5352914 0.84 CYP1A2 (0.61) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL8622874 0.81 CYP1A2 (0.50) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL1971149 0.79 CYP1A2 (0.48) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL9976120 0.79 ALDH1A1 (0.48) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL27723797 0.76 GPR55 (0.47) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL12627491 0.75 ALDH1A1 (0.43) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL16487070 0.75 ALDH1A1 (0.43) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL29613365 0.74 HSD17B10 (0.72) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL535635 0.74 HSD17B10 (0.69) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL535472 0.74 HSD17B10 (0.72) CYP1A2ALDH1A1HPGDHSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240138260-A1 PLURALITY OF HOST MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2024-04-25 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-20240138260-A1 PLURALITY OF HOST MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L3MBTL4, ELAVL1, LIMS1 CYP1A2 4319/4885CYP2C19 3938/4885CYP2D6 4007/4885

“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.