SCHEMBL25138589

SCHEMBL25138589

BN1c2ccccc2Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
NOTUM Q6P988 1/20 0.39
DRD1 P21728 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
DRD5 P21918 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTR2A P28223 4/20 0.37
CYP3A4 P08684 3/20 0.37
LMNA P02545 2/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
ADRA1A P35348 2/20 0.37

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
SCHEMBL18029459 0.76 TLR9 (0.36) MAOAALDH1A1MEN1KMT2ALMNA
SCHEMBL20776999 0.74 NOTUM (0.44) HPGDNOTUMDRD1DRD2DRD4
SCHEMBL29351597 0.74 MAOA (0.52) HPGDNOTUMDRD1DRD2DRD4
SCHEMBL975897 0.74 MAOA (0.52) HPGDNOTUMDRD1DRD2DRD4
SCHEMBL28642675 0.74 HPGD (0.42) HPGDNOTUMDRD1DRD2DRD4
SCHEMBL7757572 0.74 AADAT (0.47) HPGDNOTUMDRD1DRD2DRD4
SCHEMBL12320654 0.74 HPGD (0.42) HPGDNOTUMDRD1DRD2DRD4
SCHEMBL6123772 0.72 HPGD (0.61) HPGDNOTUMDRD1DRD2DRD4
SCHEMBL29735917 0.72 MAOA (0.50) HPGDNOTUMDRD1DRD2DRD4
SCHEMBL20383138 0.72 HTR2A (0.53) DRD1DRD2DRD4DRD3DRD5

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-20230119624-A1 COMPOSITION, FILM, ORGANIC LIGHT EMITTING ELEMENT, METHOD FOR PROVIDING LIGHT EMITTING COMPOSITION, AND PROGRAM KYULUX, INC. (JP) 2023-04-20 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-20230119624-A1 COMPOSITION, FILM, ORGANIC LIGHT EMITTING ELEMENT, METHOD FOR PROVIDING LIGHT EMITTING COMPOSITION, AND PROGRAM SOS1, MLLT1, ESYT2 HPGD 4618/4885NOTUM 3103/4885DRD1 2722/4885

“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.