SCHEMBL3536210

SCHEMBL3536210

Cc1oc(C(=O)O)cc1COc1cccc(I)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.73
NPC1 O15118 1/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.54
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL3536981 0.88 MAPT (0.60) PTGER4KDM4EPOLBHSD17B10HPGD
SCHEMBL3536959 0.85 PTGER4 (0.74) PTGER4NPC1KDM4EPOLBHSD17B10
SCHEMBL27649880 0.82 PTGER4 (0.51) PTGER4HPGDMAPTALDH1A1LMNA
SCHEMBL2557646 0.82 PTGER4 (0.70) PTGER4NPC1KDM4EPOLBHSD17B10
SCHEMBL27649881 0.82 PTGER4 (0.67) PTGER4HPGDMAPTALDH1A1LMNA
SCHEMBL1756460 0.79 PTGER4 (1.00) PTGER4
SCHEMBL3535596 0.78 PTGER4 (0.82) PTGER4NPC1KDM4EPOLBHSD17B10
SCHEMBL3532978 0.78 PTGER4 (0.77) PTGER4NPC1KDM4EPOLBHSD17B10
SCHEMBL3543639 0.77 PTGER4 (1.00) PTGER4
SCHEMBL3535149 0.77 PTGER4 (0.84) PTGER4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
CN-1761657-A EP4 receptor antagonists PHARMAGENE LAB LTD (GB) 2006-04-19 CN disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 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 (3 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 PTGER4 1/4885NPC1 3366/4885KDM4E 1843/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 PTGER4 1/4885NPC1 2589/4885KDM4E 1072/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 PTGER4 1/4885NPC1 3315/4885KDM4E 1890/4885

“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.