SCHEMBL6318642

SCHEMBL6318642

O=C(O)c1ccc(Oc2c(C(=O)O)c(C(=O)O)c(Oc3ccc(C(=O)O)c(C(=O)O)c3)c(C(=O)O)c2C(=O)O)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
ALDH1A1 P00352 1/20 0.55
HPSE Q9Y251 1/20 0.48
PYGM P11217 6/20 0.44
PYGL P06737 5/20 0.44
APEX1 P27695 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
LMNA P02545 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GALK1 P51570 1/20 0.43
CASP6 P55212 1/20 0.43
MCL1 Q07820 1/20 0.43
PLEC Q15149 1/20 0.43
KDM4E B2RXH2 2/20 0.42
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39

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
SCHEMBL29426403 0.86 POLB (0.70) POLBALDH1A1HPSEPYGMPYGL
SCHEMBL49365 0.86 POLB (0.70) POLBALDH1A1HPSEPYGMPYGL
SCHEMBL29364655 0.86 POLB (0.70) POLBALDH1A1HPSEPYGMPYGL
SCHEMBL30901880 0.84 POLB (0.73) POLBALDH1A1HPSEPYGMPYGL
SCHEMBL29406842 0.84 POLB (0.73) POLBALDH1A1HPSEPYGMPYGL
SCHEMBL270454 0.84 POLB (0.68) POLBALDH1A1HPSEPYGMPYGL
Water SCHEMBL6407539 0.84 POLB (0.68) POLBALDH1A1HPSEPYGMPYGL
SCHEMBL30553345 0.84 POLB (0.73) POLBALDH1A1HPSEPYGMPYGL
SCHEMBL145176 0.84 POLB (0.73) POLBALDH1A1HPSEPYGMPYGL
SCHEMBL262311 0.84 POLB (0.73) POLBALDH1A1HPSEPYGMPYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
CN-1319090-A Novel substuted indolimones, their preparation process and use as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2001-10-24 CN 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 POLB 1921/4885ALDH1A1 1810/4885HPSE 3788/4885

“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.