SCHEMBL13858741

SCHEMBL13858741

CCOC(=O)COc1c(F)cc(C=O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 3/20 0.43
NLRP3 Q96P20 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39
PPOX P50336 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13858628 0.89 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C19L3MBTL1GAA
SCHEMBL5335121 0.86 SRD5A2 (0.43) ALDH1A1CYP1A2CYP2C19NPSR1KDM4E
SCHEMBL13858739 0.84 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19L3MBTL1GAA
SCHEMBL16740567 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1NPSR1KDM4E
SCHEMBL13858951 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C19L3MBTL1GAA
SCHEMBL24133255 0.80 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19L3MBTL1GAA
SCHEMBL5320935 0.80 CD69 (0.43) ALDH1A1CYP1A2CYP2C19L3MBTL1GAA
SCHEMBL18377317 0.80 GAA (0.50) ALDH1A1CYP1A2CYP2C19L3MBTL1GAA
SCHEMBL17538707 0.80 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C19L3MBTL1GAA
SCHEMBL6744989 0.79 NLRP3 (0.59) ALDH1A1GAANLRP3NPSR1KDM4E

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 1395/4885CYP1A2 1041/4885CYP2C19 2133/4885

“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.