SCHEMBL14374020

SCHEMBL14374020

COC(=O)[C@H](N)CSc1cc(O)c(OC)cc1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MARS1 P56192 5/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HMGCR P04035 1/20 0.36
▸ HSD17B2 P37059 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90B1 P14625 1/20 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
SCHEMBL14003928 0.78 CA12 (0.41) KIF11ALDH1A1MARS1LMNAKDM4E
SCHEMBL14347058 0.77 KIF11 (0.38) KIF11ALDH1A1MARS1LMNAHSD17B2
SCHEMBL14374015 0.76 HSD17B10 (0.48) ALDH1A1LMNAHMGCRKDM4ECYP3A4
SCHEMBL14347054 0.72 ALOX5 (0.55) —
SCHEMBL6384400 0.70 ALDH1A1 (0.61) ALDH1A1MARS1LMNAHSD17B2KDM4E
SCHEMBL14374011 0.70 KIF11 (0.43) KIF11ALDH1A1MARS1MMP2MMP9
SCHEMBL2069242 0.68 KIF11 (0.47) KIF11ALDH1A1CYP3A4HSD17B10
SCHEMBL11348840 0.67 BLM (0.58) MMP2MMP9MMP8MMP13LMNA
Hydrochloric Acid SCHEMBL9536911 0.67 ESR1 (0.43) KIF11MMP2MMP9MMP13
SCHEMBL111172 0.66 KIF11 (0.43) KIF11ALDH1A1

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 1812/4885ALDH1A1 122/4885MARS1 3921/4885

“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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