SCHEMBL3919902

SCHEMBL3919902

CC(=O)OCCCCOc1cc(O)cc(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.40
CNR2 P34972 8/20 0.40
ALB P02768 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 1/20 0.38
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 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
SCHEMBL3932701 0.92 PLA2G2A (0.41) PDE3BPDE3AP2RY12ALDH1A1PGR
SCHEMBL11504030 0.81 NR5A1 (0.53) CNR1CNR2
SCHEMBL3923818 0.81 HDAC1 (0.43) PDE3BPDE3AP2RY12
SCHEMBL11503562 0.81 CNR1 (0.48) CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL13547835 0.80 ALDH1A1 (0.57) PDE3BPDE3AP2RY12ALDH1A1SMN1; SMN2
SCHEMBL8265447 0.80 ALDH1A1 (0.41) CNR1CNR2ALBALDH1A1BACE1
SCHEMBL9121016 0.79 MAOA (0.49) ALDH1A1SMN1; SMN2
SCHEMBL6850263 0.78 ALDH1A1 (0.55) ALBALDH1A1SMN1; SMN2
SCHEMBL6847397 0.78 ALDH1A1 (0.55) ALBALDH1A1SMN1; SMN2
SCHEMBL6851329 0.78 ALDH1A1 (0.55) ALBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698635-B1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF KISSEI PHARMACEUTICAL (JP) 2011-12-14 EP disclosed
US-7547680-B2 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICALS, CO., LTD. (JP) 2009-06-16 US disclosed
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
EP-1698635-A1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2006-09-06 EP 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-20080038242-A1 Benzimidazole derivatives and medical uses thereof SLCO1B3, SLCO2A1, SLCO2B1 CNR1 1099/4885CNR2 874/4885ALB 3154/4885

“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.