SCHEMBL13858951

SCHEMBL13858951

CCOC(=O)COc1c(Cl)cc(C=O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 4/20 0.49
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
PKM P14618 1/20 0.41
NLRP3 Q96P20 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL13858488 0.89 ALDH1A1 (0.63) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL5337127 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL13996135 0.85 GAA (0.49) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL13858739 0.84 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL11781754 0.84 ALDH1A1 (0.57) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL4005253 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL6814154 0.83 L3MBTL1 (0.48) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL5535275 0.83 GAA (0.47) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL30902486 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL13858741 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA

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-9212196-B2 Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof UNIVERSITE PARIS DESCARTES (FR) 2015-12-15 US disclosed
US-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF UNIVWESITE D"AUVERGNE (FR) 2014-04-17 US disclosed
WO-2012156931-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF UNIVERSITE PARIS DESCARTES (FR) 2012-11-22 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-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF HCAR3, HRH3, SSTR3 ALDH1A1 1395/4885L3MBTL1 4087/4885CYP1A2 1041/4885

“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.