SCHEMBL17903203

SCHEMBL17903203

CCNCc1cc2ccc(OC)cc2nc1C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ GPBAR1 Q8TDU6 14/20 0.47
▸ HPGDS O60760 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ APLNR P35414 1/20 0.43

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
SCHEMBL12677805 0.84 ALDH1A1 (0.54) ALDH1A1GFERKDM4EGPBAR1HPGDS
SCHEMBL1574696 0.79 KDM4E (0.70) ALDH1A1GFERKDM4EHPGDSL3MBTL1
SCHEMBL1574753 0.79 ALDH1A1 (0.72) ALDH1A1GFERKDM4EGPBAR1HPGDS
SCHEMBL1574405 0.77 KDM4E (0.58) ALDH1A1GFERKDM4EHPGDSL3MBTL1
SCHEMBL12677808 0.75 ALDH1A1 (0.51) ALDH1A1GFERKDM4EGPBAR1HPGDS
SCHEMBL1574547 0.75 ALDH1A1 (0.51) ALDH1A1GFERKDM4EHPGDSL3MBTL1
SCHEMBL29750685 0.74 HSD17B10 (0.54) ALDH1A1GFERKDM4EHPGDSL3MBTL1
SCHEMBL1574486 0.74 HSD17B10 (0.54) ALDH1A1GFERKDM4EHPGDSL3MBTL1
SCHEMBL14036445 0.74 HDAC1 (0.56) ALDH1A1KDM4EHPGDS
SCHEMBL12827022 0.73 ALDH1A1 (0.50) ALDH1A1GFERKDM4EHPGDSL3MBTL1

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-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 — — US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 — — 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-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE ALDH1A1 528/4885GFER 1627/4885KDM4E 4595/4885

“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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