SCHEMBL13596352

SCHEMBL13596352

CC(=O)c1ccc2c(c1)OCCCCO2

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
TSHR P16473 2/20 0.58
ATM Q13315 1/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 1/20 0.54
HPGD P15428 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RECQL P46063 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
SCHEMBL3735582 0.96 KDM4E (0.77) KDM4ENPC1RAB9ATSHRATM
SCHEMBL102971 0.92 KDM4E (0.89) KDM4ENPC1RAB9ATSHRATM
SCHEMBL14849222 0.87 KDM4E (1.00) KDM4ENPC1RAB9ATSHRATM
SCHEMBL10031401 0.87 KDM4E (1.00) KDM4ENPC1RAB9ATSHRATM
SCHEMBL15188497 0.87 KDM4E (0.60) KDM4ENPC1RAB9ATSHRATM
SCHEMBL14937523 0.87 KDM4E (1.00) KDM4ENPC1RAB9ATSHRATM
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.85 KDM4E (0.71) KDM4ENPC1RAB9ATSHRALDH1A1
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.85 KDM4E (0.71) KDM4ENPC1RAB9ATSHRALDH1A1
SCHEMBL16343224 0.84 KDM4E (0.60) KDM4ENPC1RAB9ATSHRATM
SCHEMBL3064183 0.83 ALDH1A1 (0.72) KDM4ENPC1RAB9ATSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 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 (1 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 KDM4E 2338/4885NPC1 7/4885RAB9A 272/4885

“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.