SCHEMBL10000756

SCHEMBL10000756

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR2 P34972 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KCNK3 O14649 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
CNR1 P21554 2/20 0.32
CYP1A2 P05177 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
SCHEMBL10000757 0.78 FASN (0.32)
SCHEMBL12367168 0.73 PTGS2 (0.35) PTGS2KMT2AMEN1NPC1RAB9A
SCHEMBL10000755 0.73 CA1 (0.31) KMT2A
SCHEMBL10000754 0.72 AKR1B1 (0.36) KMT2AMEN1ALDH1A1POLBCYP1A2
SCHEMBL4342682 0.67 CNR2 (0.44) CNR2ALDH1A1KCNK3THRBBLM
SCHEMBL14562205 0.66 HPGD (0.58) KMT2AMEN1NPC1RAB9ACNR2
SCHEMBL8681480 0.65 CNR2 (0.51) KMT2AMEN1CNR2ALDH1A1KCNK3
SCHEMBL12744505 0.64 ERBB2 (0.40) ALDH1A1
SCHEMBL3007152 0.64 POLB (0.71) KMT2AMEN1CNR2ALDH1A1POLB
SCHEMBL3007157 0.64 POLB (0.71) KMT2AMEN1CNR2ALDH1A1POLB

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-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-20110021820-A1 Preparation of Hydroquinone Amide Compounds with Antioxidant Properties CATALYS SAS (FR) 2011-01-27 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-20110021820-A1 Preparation of Hydroquinone Amide Compounds with Antioxidant Properties NQO1, TYR, AHR PTGS2 540/4885KMT2A 1182/4885MEN1 4515/4885

“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.