SCHEMBL4994207

SCHEMBL4994207

CCOC(=O)CC(=O)CCC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL6081360 0.96 LMNA (0.48) LMNAPOLBALDH1A1MGAMGAA
SCHEMBL18269643 0.88 LMNA (0.51) LMNAPOLBALDH1A1MGLL
SCHEMBL18269652 0.88 LMNA (0.51) LMNAPOLBALDH1A1MGLL
SCHEMBL22169130 0.85 LMNA (0.42) LMNAPOLBALDH1A1MGAMGAA
SCHEMBL9245030 0.83 LMNA (0.57) LMNAPOLBALDH1A1HPGDCYP1A2
SCHEMBL28992338 0.82 LMNA (0.56) LMNAPOLBALDH1A1CYP1A2RAB9A
SCHEMBL6081609 0.82 GAA (0.44) LMNAPOLBALDH1A1MGAMGAA
SCHEMBL18269647 0.81 LMNA (0.55) LMNAPOLBALDH1A1CYP1A2RAB9A
SCHEMBL28992225 0.81 LMNA (0.55) LMNAPOLBALDH1A1CYP1A2RAB9A
SCHEMBL22169204 0.81 LMNA (0.46) LMNAPOLBALDH1A1MGAMGAA

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
US-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 US disclosed
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 EP disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US 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 (2 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-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators GPR119, GIPR, GLP1R LMNA 3725/4885POLB 4403/4885ALDH1A1 3320/4885
US-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 LMNA 934/4885POLB 2456/4885ALDH1A1 1420/4885

“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.