SCHEMBL24531884

SCHEMBL24531884

Cn1c2c(c3ccccc31)/C=C\CCCCCCCCC/C=C\2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.42
▸ ERCC1 P07992 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ACHE P22303 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL21912939 0.85 GPR3 (0.47) GPR3ERCC1FEN1ERCC4ALKBH5
SCHEMBL21913127 0.77 HTR2A (0.43) GPR3KDM4EHSD17B10HTR2AHTR2C
SCHEMBL21913875 0.77 ACHE (0.45) GPR3ALKBH5FTOKDM4EALDH1A1
SCHEMBL24531885 0.74 GPR3 (0.39) GPR3ALKBH5FTOKDM4EALDH1A1
SCHEMBL31434384 0.73 GPR3 (0.45) GPR3ERCC1FEN1ERCC4ALKBH5
SCHEMBL14024612 0.73 GPR3 (0.45) GPR3ERCC1FEN1ERCC4ALKBH5
SCHEMBL9999764 0.73 ACHE (0.47) GPR3ERCC1FEN1ERCC4ALKBH5
SCHEMBL5087054 0.70 GPR3 (0.50) GPR3ERCC1FEN1ERCC4ALKBH5
SCHEMBL23505087 0.70 GPR3 (0.45) GPR3ERCC1FEN1ERCC4ALKBH5
SCHEMBL23352286 0.70 GPR3 (0.38) GPR3KDM4EALDH1A1HSD17B10LMNA

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-20220199914-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2022-06-23 — — 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-20220199914-A1 ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, EML4, ELP1 GPR3 2644/4885ERCC1 586/4885FEN1 637/4885

“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.

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