SCHEMBL3971345

SCHEMBL3971345

COc1ccc(C2=CCC(C)(C(=O)O)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
NR4A2 P43354 1/20 0.39
APP P05067 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 2/20 0.38
SLC6A3 Q01959 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
LDHA P00338 1/20 0.37

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
SCHEMBL10334243 0.64 PPARA (0.45) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL286520 0.64 HPGD (0.55) HPGDKDM4EALDH1A1HTTTDP1
SCHEMBL3877039 0.64 MAPT (0.61) HPGDKDM4EALDH1A1APPMAPT
SCHEMBL9856614 0.63 SLC6A3 (0.53) HPGDKDM4EALDH1A1NR4A2CA1
SCHEMBL6503513 0.63 SLC6A3 (0.69) HPGDKDM4EALDH1A1CA1CA2
1,4-Dimethoxybenzene SCHEMBL28051166 0.62 CA1 (0.68) CA1CA2MAPTSMN1; SMN2NPC1
Bicarbonate SCHEMBL28112150 0.62 CES2 (0.61) KDM4EALDH1A1TDP1CA1CA2
SCHEMBL18663339 0.62 ALDH1A1 (0.42) HPGDKDM4EALDH1A1HTTNR4A2
SCHEMBL2112336 0.62 NPC1 (0.56) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL18270474 0.62 SLC6A3 (0.51) HPGDKDM4EALDH1A1NR4A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569602-B2 Furan derivatives as EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-08-04 US disclosed
EP-1673360-B1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-12-17 EP disclosed
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2008-12-11 US disclosed
US-7417068-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-08-26 US disclosed
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2007-06-14 US disclosed
EP-1673360-A1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2006-06-28 EP disclosed
US-20050124676-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2005-06-09 US disclosed
WO-2005037812-A1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2005-04-28 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-20050124676-A1 EP4 receptor antagonists PTGER4, PTGER3, NR4A3 HPGD 1200/4885KDM4E 2329/4885ALDH1A1 2257/4885
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER3, NR4A3 HPGD 1200/4885KDM4E 2329/4885ALDH1A1 2257/4885
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists PTGER4, PTGER3, NR4A3 HPGD 1216/4885KDM4E 2558/4885ALDH1A1 2241/4885

“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.