SCHEMBL2801743

SCHEMBL2801743

COC(=O)c1c(C=O)cc(OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ERN1 O75460 5/20 0.47
CYP3A4 P08684 3/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41

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
SCHEMBL2797425 0.85 ALDH1A1 (0.51) ALDH1A1ERN1CYP3A4USP2MAPK1
Methyl 2,4,6-Trimethoxybenzoate SCHEMBL2563067 0.84 CYP3A4 (0.58) ALDH1A1CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL8840743 0.81 LMNA (0.50) ALDH1A1ERN1CYP3A4USP2MAPK1
SCHEMBL30358563 0.80 CYP1A2 (0.63) ALDH1A1CYP3A4MAPK1SMN1; SMN2HPGD
SCHEMBL16191443 0.80 FLT3 (0.47) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL16191441 0.80 FLT3 (0.47) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL28675342 0.80 CYP1A2 (0.63) ALDH1A1CYP3A4MAPK1SMN1; SMN2HPGD
SCHEMBL16191991 0.79 TUBB4A (0.61) ABCG2TDP1
SCHEMBL16191990 0.79 TUBB4A (0.61) ABCG2TDP1
SCHEMBL16191542 0.78 MAPT (0.57) ALDH1A1CYP3A4USP2SMN1; SMN2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US disclosed
US-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 US disclosed
EP-1753714-A4 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS INC (US) 2007-10-17 EP disclosed
EP-1753714-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS Renovis, Inc. (US) 2007-02-21 EP disclosed
EP-1660011-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-05-31 EP disclosed
WO-2005079270-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS, INC. (US) 2005-09-01 WO disclosed
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 US disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 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 (4 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT ALDH1A1 487/4885ERN1 3800/4885CYP3A4 98/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT ALDH1A1 487/4885ERN1 3800/4885CYP3A4 98/4885
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885ERN1 4489/4885CYP3A4 1169/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885ERN1 4489/4885CYP3A4 1169/4885

“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.