SCHEMBL22881817

SCHEMBL22881817

c1ccc2c(c1)-c1ccccc1-c1ccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5ccccc45)c4ccccc34)c3cccc-2c13

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ ALOX5 P09917 2/20 0.37
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CDC25C P30307 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAOA P21397 3/20 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
SCHEMBL22881836 0.89 CRHBP (0.43) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL17943998 0.86 L3MBTL1 (0.41) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL22855197 0.84 CRHBP (0.42) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL17931959 0.83 L3MBTL1 (0.40) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL17931910 0.83 CDC14B (0.41) ALDH1A1HPGDCASP1HSD17B10MAPK1
SCHEMBL27264817 0.81 AHR (0.36) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL27334103 0.81 CA1 (0.37) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL22881795 0.81 ALDH1A1 (0.41) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL22881796 0.81 AHR (0.41) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL4570790 0.80 CA1 (0.36) ALDH1A1HPGDCASP1HSD17B10TSHR

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-20210013418-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-14 — — 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-20210013418-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, EPCAM, VDAC2 ALDH1A1 734/4885HPGD 4365/4885CASP1 2575/4885

“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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