SCHEMBL8350940

SCHEMBL8350940

c1ccc(COc2ccccc2OCCCOC2CCCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4C Q9H3R0 1/20 0.46
HTR1A P08908 5/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CCR5 P51681 1/20 0.39
C5AR1 P21730 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 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
SCHEMBL772662 0.94 KDM4C (0.47) MEN1KMT2AKDM4CHTR1AADRA1D
SCHEMBL10683573 0.88 HTR1A (0.48) MEN1KMT2AKDM4CHTR1AL3MBTL1
SCHEMBL21069187 0.85 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1TDP1
SCHEMBL10821993 0.85 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1TDP1
SCHEMBL21069202 0.85 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1TDP1
SCHEMBL10686650 0.85 HTR1A (0.50) MEN1KMT2AKDM4CHTR1AL3MBTL1
SCHEMBL24574174 0.84 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1TDP1
SCHEMBL21069119 0.84 MEN1 (0.52) MEN1KMT2AKDM4CL3MBTL1TDP1
SCHEMBL21068789 0.84 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1TDP1
SCHEMBL27179372 0.84 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 WO 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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B MEN1 798/4885KMT2A 2928/4885KDM4C 1857/4885

“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.