SCHEMBL5099740

SCHEMBL5099740

O=C(O)c1cncc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.71
TBXA2R P21731 1/20 0.62
CYP2C9 P11712 3/20 0.60
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
CYP3A4 P08684 1/20 0.55
IDO1 P14902 1/20 0.52
MCL1 Q07820 1/20 0.51

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
SCHEMBL5102961 0.86 PTGER1 (0.57) PTGER1TBXA2RCYP2C9CYP3A4IDO1
SCHEMBL5096132 0.83 PTGER1 (1.00) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL14038957 0.83 PTGER1 (0.49) PTGER1TBXA2RCYP2C9
SCHEMBL5099618 0.81 RXRA (0.78) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL4886674 0.80 PTGER1 (0.79) PTGER1TBXA2RCYP2C9RXRARXRB
SCHEMBL5099974 0.80 PTGER1 (1.00) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL4914145 0.78 PTGER1 (0.74) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL5619983 0.78 PTGER1 (0.77) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL5100875 0.78 PTGER1 (1.00) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL31418173 0.77 PTGER1 (0.54) PTGER1TBXA2RCYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor GLAXO GROUP LIMITED (GB) 2007-09-27 US claimed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
EP-1742916-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-01-17 EP disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2005108369-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-11-17 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 (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-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor PTGER1, PTGER2, PTGDR PTGER1 1/4885TBXA2R 11/4885CYP2C9 223/4885
US-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 PTGER1 504/4885TBXA2R 36/4885CYP2C9 2/4885

“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.