SCHEMBL10000753

SCHEMBL10000753

Cc1c(O)c(CO)c(CO)c2c1CC(=O)O2

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.32
ERBB2 P04626 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
NUAK1 O60285 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
SRC P12931 1/20 0.31
AXL P30530 1/20 0.31
AKT1 P31749 1/20 0.31
KDR P35968 1/20 0.31
NEK2 P51955 1/20 0.31
PLK1 P53350 1/20 0.31
PTK2 Q05397 1/20 0.31
PKN1 Q16512 1/20 0.31
AURKB Q96GD4 1/20 0.31
NEK6 Q9HC98 1/20 0.31
ALK Q9UM73 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31

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
SCHEMBL7094762 0.71 KDM4E (0.33)
SCHEMBL12744505 0.66 ERBB2 (0.40) PIM1ERBB2HKDC1
SCHEMBL12440728 0.64
SCHEMBL4459202 0.61 TSHR (0.45) PIM1NUAK1IGF1RMETSRC
SCHEMBL14067035 0.60 ERBB2 (0.36) PIM1ERBB2HKDC1
SCHEMBL6906681 0.60 ALOX5 (0.41) PIM1NUAK1IGF1RMETSRC
SCHEMBL16597206 0.59 ERBB2 (0.39) PIM1ERBB2HKDC1
SCHEMBL13025134 0.58 KDM4E (0.37) PIM1ERBB2HKDC1
SCHEMBL8351615 0.56 KDM4E (0.35) PIM1ERBB2HKDC1
SCHEMBL10000754 0.56 AKR1B1 (0.36) PIM1ERBB2HKDC1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207229-B1 Preparation of hydroquinone amide compounds with antioxidant properties CATALYS SAS (FR) 2012-06-26 US disclosed
US-8207229-B1 Preparation of hydroquinone amide compounds with antioxidant properties CATALYS SAS (FR) 2012-06-26 US disclosed
US-8003824-B2 Preparation of hydroquinone amide compounds with antioxidant properties CATALYS SAS (FR) 2011-08-23 US disclosed
US-8003824-B2 Preparation of hydroquinone amide compounds with antioxidant properties CATALYS SAS (FR) 2011-08-23 US disclosed
US-20110021820-A1 Preparation of Hydroquinone Amide Compounds with Antioxidant Properties CATALYS SAS (FR) 2011-01-27 US disclosed
US-20110021820-A1 Preparation of Hydroquinone Amide Compounds with Antioxidant Properties CATALYS SAS (FR) 2011-01-27 US disclosed
WO-2009115707-A2 PREPARATION OF HYDROQUINONE AMIDE COMPOUNDS WITH ANTIOXIDANT PROPERTIES. CATALYS SAS (FR) 2009-09-24 WO 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-20110021820-A1 Preparation of Hydroquinone Amide Compounds with Antioxidant Properties NQO1, TYR, AHR PIM1 4108/4885ERBB2 2837/4885HKDC1 926/4885

“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.