SCHEMBL10000754

SCHEMBL10000754

Cc1c(O)c(CO)c(CO)c(O)c1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
ERBB2 P04626 1/20 0.33
PIM1 P11309 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
KDM4E B2RXH2 6/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
PTGS1 P23219 1/20 0.32
POLB P06746 2/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
AKR1C2 P52895 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL723703 0.85 AKR1B1 (0.40) AKR1B1KDM4EMAPTGAAALDH1A1
SCHEMBL20101104 0.80 AKR1B1 (0.40) AKR1B1KDM4EMAPTGAAALDH1A1
SCHEMBL10000757 0.79 FASN (0.32) ERBB2PIM1HKDC1FASN
SCHEMBL11744319 0.77 AKR1B1 (0.42) AKR1B1KDM4EMAPTGAAALDH1A1
SCHEMBL12042065 0.74 AKR1B1 (0.41) AKR1B1KDM4EMAPTGAAALDH1A1
SCHEMBL12744505 0.74 ERBB2 (0.40) ERBB2PIM1HKDC1KDM4EALDH1A1
SCHEMBL11803971 0.74 AKR1B1 (0.44) AKR1B1KDM4EMAPTGAAALDH1A1
SCHEMBL10000755 0.73 CA1 (0.31) KMT2ACA2
SCHEMBL10000756 0.72 PTGS2 (0.37) ALDH1A1CYP1A2POLBMEN1KMT2A
SCHEMBL16597206 0.71 ERBB2 (0.39) ERBB2PIM1HKDC1KDM4EALDH1A1

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 8 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
EP-2257523-B1 PREPARATION OF HYDROQUINONE AMIDE COMPOUNDS WITH ANTIOXIDANT PROPERTIES CATALYS SAS (FR) 2011-08-10 EP 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 AKR1B1 134/4885ERBB2 2837/4885PIM1 4108/4885

“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.