SCHEMBL14374011

SCHEMBL14374011

COC(=O)[C@@H](N)CSc1c(O)ccc(O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.43
▸ DRD1 P21728 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ MARS1 P56192 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ ESR2 Q92731 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ HK2 P52789 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL14374010 0.76 ALDH1A1 (0.45) ALDH1A1GAAGFERKDM4ECYP3A4
SCHEMBL14003928 0.73 CA12 (0.41) KIF11DRD1ALDH1A1MARS1GAA
SCHEMBL14347057 0.73 ALOX5 (0.41) PTGS2TRPV1
SCHEMBL15700636 0.73 KIF11 (0.40) KIF11DRD1ALDH1A1IDO1
SCHEMBL14347058 0.72 KIF11 (0.38) KIF11DRD1ALDH1A1MARS1GAA
Hydrochloric Acid SCHEMBL9536911 0.71 ESR1 (0.43) KIF11DRD1ESR2ESR1MMP2
SCHEMBL2951317 0.70 KIF11 (0.55) KIF11CYP3A4KMT2A
SCHEMBL10977541 0.70 KIF11 (0.55) KIF11CYP3A4KMT2A
SCHEMBL14374020 0.70 KIF11 (0.40) KIF11ALDH1A1MARS1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL3610043 0.69 KIF11 (0.53) KIF11CYP3A4KMT2A

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-20070286906-A1 DIHYDROBENZOQUINONE COMPOUNDS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2007-12-13 — — 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-20070286906-A1 DIHYDROBENZOQUINONE COMPOUNDS NQO1, SDHA, SDHB KIF11 1812/4885DRD1 1138/4885ALDH1A1 122/4885

“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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