SCHEMBL6789908

SCHEMBL6789908

NC(=O)Cc1ccc(O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.45
▸ ESR2 Q92731 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ HK2 P52789 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL11029713 0.83 GAA (0.53) CA2ALDH1A1HSD17B10GAANPSR1
SCHEMBL28994842 0.82 SELL (0.41) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL22982305 0.81 SELL (0.44) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL31618870 0.81 SELL (0.44) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL11051603 0.81 IAPP (0.46) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL8685874 0.79 AKR1B1 (0.58) CA2KDM4ETHPOHSD17B10GAA
SCHEMBL30940438 0.79 AKR1B1 (0.58) CA2KDM4ETHPOHSD17B10GAA
SCHEMBL660344 0.77 IAPP (0.46) ESR2ESR1ADORA3NPY1RPTGS2
SCHEMBL9313934 0.77 ESR2 (0.37) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL11058291 0.77 CA2 (0.40) CA2KDM4EALDH1A1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803367-B2 ANTICANCER AGENTS; SYNERGISTIC MIXTURES TAKARA SHUZO CO., LTD. (JP) 2004-10-12 — — US disclosed
CN-1125023-C Apoptosis inducer TAKARA SHUZO CO (JP) 2003-10-22 — — CN disclosed
US-20030065014-A1 Substance for inducing apoptosis TAKARA BIO INC. (JP) 2003-04-03 — — US disclosed
US-6525082-B1 2-hydroxy-4-(1-imidazolyl)-2-cyclopenten-1-one; inhibiting growth of cancer cells TAKARA SHUZO CO., LTD. (JP) 2003-02-25 — — US disclosed
CN-1281426-A Substance inducing apoptosis TAKARA SHUZO CO (JP) 2001-01-24 — — CN disclosed
EP-1048641-A1 APOPTOSIS INDUCER Takara Shuzo Co, Ltd. (JP) 2000-11-02 — — EP 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-20030065014-A1 Substance for inducing apoptosis BAX, BCL2, BAD CA2 3685/4885ESR2 1567/4885KDM4E 4256/4885

“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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