SCHEMBL5096410

SCHEMBL5096410

COc1ccc(-c2ccccc2-c2ccccc2OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.62
MCL1 Q07820 1/20 0.54
HDAC8 Q9BY41 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.49
LRRK2 Q5S007 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL3365964 0.89 MAPT (0.58) PTGER1MCL1CTSVCTSLKDM4E
SCHEMBL5096377 0.85 PTGER1 (0.68) PTGER1MCL1LRRK2MRGPRX4
SCHEMBL1647498 0.84 FOLH1 (0.63) HDAC8SMN1; SMN2CTSVCTSLKDM4E
SCHEMBL5099450 0.83 PTGER1 (0.79) PTGER1MCL1
SCHEMBL5099647 0.83 PTGER1 (0.64) PTGER1MCL1LRRK2NPC1MAPT
SCHEMBL6404086 0.83 HDAC8 (0.60) MCL1HDAC8SMN1; SMN2CTSVCTSL
SCHEMBL31550547 0.83 HDAC8 (0.60) MCL1HDAC8SMN1; SMN2CTSVCTSL
SCHEMBL2990559 0.78 KDM4E (0.57) HDAC8SMN1; SMN2CTSVCTSLKDM4E
SCHEMBL29375765 0.78 KDM4E (0.57) HDAC8SMN1; SMN2CTSVCTSLKDM4E
SCHEMBL7792695 0.78 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ERAB9APOLBNPSR1

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
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US claimed
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 claimed
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 claimed
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
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 (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-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 1/4885MCL1 2490/4885HDAC8 1734/4885

“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.