SCHEMBL3972917

SCHEMBL3972917

O=C(O)c1coc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.64
KEAP1 Q14145 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KMO O15229 1/20 0.48
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.44
IP6K1 Q92551 1/20 0.44
IP6K3 Q96PC2 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2682843 0.84 MEN1 (0.54) NR4A2KEAP1ALDH1A1HPGDNPC1
SCHEMBL10177678 0.84 CYP2C19 (0.50) NR4A2ALDH1A1TSHRHPGDNPC1
SCHEMBL11395486 0.82 NR4A2 (0.63) NR4A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL4183564 0.82 NR4A2 (0.58) NR4A2KEAP1ALDH1A1KMONAPRT
SCHEMBL28265158 0.82 KEAP1 (0.71) NR4A2KEAP1ALDH1A1KMODHODH
SCHEMBL17336660 0.81 KMO (0.66) NR4A2KEAP1ALDH1A1KMOIP6K1
SCHEMBL363026 0.81 KMO (0.59) NR4A2ALDH1A1KMOHPGDMAPT
SCHEMBL7642858 0.80 NR4A2 (0.55) NR4A2ALDH1A1TSHRHPGDRAB9A
SCHEMBL11396868 0.79 NR4A2 (0.42) NR4A2KEAP1ALDH1A1HPGDNPC1
SCHEMBL24951238 0.78 IP6K1 (0.54) NR4A2KEAP1ALDH1A1KMONPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
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 (4 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 NR4A2 8/4885KEAP1 3134/4885ALDH1A1 2257/4885
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER3, NR4A3 NR4A2 8/4885KEAP1 3134/4885ALDH1A1 2257/4885
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists PTGER4, PTGER3, NR4A3 NR4A2 7/4885KEAP1 2932/4885ALDH1A1 2241/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 NR4A2 2090/4885KEAP1 391/4885ALDH1A1 969/4885

“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.