SCHEMBL3978878

SCHEMBL3978878

Cc1oc(-c2ccc(OC(F)F)cc2)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
PTGER4 P35408 2/20 0.53
HPGD P15428 5/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 7/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TEAD4 Q15561 1/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL28641494 0.86 ALDH1A1 (0.53) NPC1RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL31223864 0.86 ALDH1A1 (0.53) NPC1RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3973924 0.82 ALDH1A1 (0.69) NPC1RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3914342 0.81 NPC1 (0.61) NPC1RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3903274 0.79 NPC1 (0.71) NPC1RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3970052 0.78 ALDH1A1 (0.58) NPC1RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL557753 0.77 NPC1 (0.73) NPC1RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5121743 0.76 ALDH1A1 (0.51) ALDH1A1PTGER4HPGDMAPTMEN1
SCHEMBL1326529 0.76 NPC1 (1.00) NPC1RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2324602 0.76 ALDH1A1 (0.51) RAB9AALDH1A1SMN1; SMN2PTGER4MAPT

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 NPC1 2821/4885RAB9A 4505/4885ALDH1A1 2257/4885
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER3, NR4A3 NPC1 2821/4885RAB9A 4505/4885ALDH1A1 2257/4885
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists PTGER4, PTGER3, NR4A3 NPC1 3071/4885RAB9A 4373/4885ALDH1A1 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.