SCHEMBL4052938

SCHEMBL4052938

Cc1ncc(COCc2ccccc2)c(C=O)c1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
PTGS1 P23219 1/20 0.59
ACP1 P24666 1/20 0.59
PDE4A P27815 1/20 0.59
P2RX1 P51575 1/20 0.59
P2RX2 Q9UBL9 1/20 0.59
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
AOX1 Q06278 1/20 0.57
TRIM24 O15164 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
AR P10275 15/20 0.48
ERN1 O75460 1/20 0.46

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
SCHEMBL14175536 0.79 ESR1 (0.69) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL21246980 0.78 AR (0.53) AR
SCHEMBL25666138 0.78 ESR1 (0.54) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL14397930 0.78 ESR1 (0.54) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL8896837 0.77 LMNA (0.56) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL25665155 0.77 ESR1 (0.53) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL22667564 0.76 AR (0.50) AR
SCHEMBL11622427 0.75 ESR1 (0.57) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL23586099 0.75 ESR1 (0.64) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL22533085 0.75 ESR1 (0.82) ESR1PTGS1ACP1PDE4AP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824825-A4 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INT INC (BB) 2009-07-08 EP disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
EP-1824825-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045203-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents MEDICURE INTERNATIONAL INC. 2006-05-04 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 (2 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-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents PNPO, GP6, PFKP ESR1 4698/4885PTGS1 180/4885ACP1 861/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP ESR1 4698/4885PTGS1 180/4885ACP1 861/4885

“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.