SCHEMBL13858488

SCHEMBL13858488

CCOC(=O)COc1c(Cl)cc(C=O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.51
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL17538707 0.90 ALDH1A1 (0.67) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL13858951 0.89 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL29955369 0.85 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP1A2MAPK1KMT2A
SCHEMBL13858628 0.84 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL13858460 0.84 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL15331704 0.84 ALDH1A1 (0.78) ALDH1A1L3MBTL1CYP1A2GAAMAPK1
SCHEMBL4005253 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL2559587 0.82 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2CYP2C19MAPK1
SCHEMBL5712322 0.82 ALDH1A1 (0.57) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL13858687 0.82 GAA (0.55) 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.