SCHEMBL6530291

SCHEMBL6530291

N#Cc1ccccc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
EPHX2 P34913 1/20 0.43
XDH P47989 1/20 0.42
GPR6 P46095 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
PDE9A O76083 2/20 0.41

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
SCHEMBL29844280 0.96 KDM4E (0.47) KDM4EPDE5APDE1APDE1BPDE1C
SCHEMBL23761235 0.92 EPHX2 (0.44) KDM4EPDE5APDE1APDE1BPDE1C
SCHEMBL30505244 0.92 EPHX2 (0.44) KDM4EPDE5APDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL25401967 0.91 EPHX2 (0.44) KDM4EPDE5APDE1APDE1BPDE1C
SCHEMBL12284287 0.84 SLC6A2 (0.42) KDM4EPDE5APDE1APDE1BPDE1C
SCHEMBL16989684 0.84 TRPC3 (0.44) KDM4EPDE5APDE1APDE1BPDE1C
SCHEMBL3128288 0.84 GPR6 (0.42) KDM4EEPHX2XDHGPR6POLB
SCHEMBL4120430 0.84 HRH1 (0.57)
SCHEMBL16989683 0.84 TRPC3 (0.44) KDM4EPDE5APDE1APDE1BPDE1C
SCHEMBL1667102 0.84 TBK1 (0.49) PDE9A

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-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R KDM4E 4678/4885PDE5A 160/4885PDE1A 1099/4885

“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.