SCHEMBL1050754

SCHEMBL1050754

COCCCc1cn(C)c2ccc(CC(CC3NC(=O)OC3CN3CCCCC3=O)C(C)C)cc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3270876 0.82 REN (0.42)
Hydrochloric Acid SCHEMBL1051871 0.77 REN (0.44)
SCHEMBL1050758 0.75 HTR1D (0.36)
SCHEMBL1050658 0.72 MTNR1A (0.35) KDM4EHPGDHSD17B10
SCHEMBL3770013 0.71 REN (0.36)
SCHEMBL1049805 0.69 NQO2 (0.33) KDM4EHPGDHSD17B10
SCHEMBL4047155 0.68 REN (0.35) KDM4EHPGDHSD17B10
SCHEMBL4047158 0.68 REN (0.35) KDM4EHPGDHSD17B10
SCHEMBL5710420 0.68 ADRB2 (0.40) KDM4EHPGDHSD17B10
SCHEMBL1051996 0.68 KDM4E (0.36) KDM4EHPGDHSD17B10

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
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C KDM4E 2793/4885HPGD 776/4885HSD17B10 487/4885

“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.