SCHEMBL5626322

SCHEMBL5626322

CCOC(=O)c1cncc(-n2c(C)ccc2-c2ccccc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGER1 P34995 3/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 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
SCHEMBL6170672 0.89 PTGER1 (0.60) CYP2C9PTGER1
SCHEMBL5627597 0.86 PTGER1 (0.43) HPGDCYP2C19HTTCYP2C9MAPT
SCHEMBL5629531 0.86 PTGER1 (0.44) HPGDCYP2C19HTTCYP2C9KDM4E
SCHEMBL5631241 0.85 ALDH1A1 (0.54) HPGDHTTCYP2C9ALDH1A1KDM4E
SCHEMBL5627611 0.83 PTGER1 (0.65) CYP2C9PTGER1
SCHEMBL5629219 0.81 PTGER1 (0.57) CYP2C9PTGER1
SCHEMBL5629562 0.80 PTGER1 (0.56) CYP2C9PTGER1
SCHEMBL5629164 0.79 PTGER1 (0.55) CYP2C9PTGER1
SCHEMBL5626761 0.79 PTGER1 (0.67) PTGER1
SCHEMBL5627826 0.79 PTGER1 (0.55) CYP2C9PTGER1

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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR HPGD 70/4885CYP2C19 100/4885HTT 2894/4885

“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.