SCHEMBL13408736

SCHEMBL13408736

c1ccc(-p2c3ccccc3c3cc(-c4cc5cc(-c6ccc7c(c6)c6ccccc6p7-c6cccc7ccccc67)c6ccccc6c5c5ccccc45)ccc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL13408727 0.90 ALDH1A1 (0.31) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL13408742 0.90 GSTP1 (0.30) —
SCHEMBL13408875 0.89 MCL1 (0.36) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL13408823 0.87 HPGD (0.34) ALDH1A1HPGDMAPK1
SCHEMBL13408699 0.87 — —
SCHEMBL13408873 0.86 GPR84 (0.38) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL13445033 0.79 — —
SCHEMBL13445044 0.74 — —
SCHEMBL13706285 0.74 CYP11B1 (0.41) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL13706166 0.73 CYP11B1 (0.36) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-22 — — US disclosed
US-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-22 — — 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-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same OCIAD1, OR10J3, ORMDL3 ALDH1A1 208/4885HPGD 785/4885TSHR 3168/4885

“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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