SCHEMBL5723232

SCHEMBL5723232

CCOC(=O)CC1COc2c(OC)ccc(C(=O)Nc3ccccc3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE10A Q9Y233 1/20 0.40
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
KMT2A Q03164 4/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 3/20 0.39
AHR P35869 1/20 0.39
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 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
SCHEMBL5722857 0.90 SGMS2 (0.42) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL5723123 0.89 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL5722788 0.86 NPC1 (0.48) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL5723699 0.85 LMNA (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5723061 0.82 PDE4D (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL5722704 0.82 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL6839358 0.79 LMNA (0.35) MAPTKMT2ATSHRMEN1ALDH1A1
SCHEMBL5722841 0.78 SGMS2 (0.48) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL5723063 0.77 PDE4D (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL5722828 0.76 NPC1 (0.52) SMN1; SMN2NPC1RAB9ATP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 SMN1; SMN2 1477/4885NPC1 956/4885RAB9A 2778/4885

“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.