SCHEMBL1083531

SCHEMBL1083531

COCCCc1cn(C)c2ccc(CC(CC(C=O)NC(=O)O)C(C)C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SPR P35270 1/20 0.38
HASPIN Q8TF76 4/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
AURKB Q96GD4 1/20 0.36
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL1049083 0.87 KDM4E (0.39) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL1047566 0.84 REN (0.40) KDM4EHPGDHSD17B10REN
SCHEMBL1051996 0.83 KDM4E (0.36) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL5050468 0.83 KDM4E (0.38) KDM4EHPGDHSD17B10SPRREN
SCHEMBL1049204 0.82 REN (0.34) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL1049890 0.80 REN (0.40) REN
SCHEMBL4047158 0.79 REN (0.35) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL4047155 0.79 REN (0.35) KDM4EHPGDHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL5164088 0.78 REN (0.45) REN
SCHEMBL4539256 0.78 REN (0.49) REN

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.