SCHEMBL3075856

SCHEMBL3075856

COC(=O)c1cccc2c1C(=O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
LMNA P02545 2/20 0.42
TRPA1 O75762 4/20 0.42
ALDH1A1 P00352 2/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL3075146 0.80 L3MBTL1 (0.44) L3MBTL1MEN1MAPTHTTKMT2A
SCHEMBL30853842 0.79 AURKA (0.53) HTTLMNAALDH1A1KDM4EPOLB
SCHEMBL7408640 0.79 TRPA1 (0.49) TSHRL3MBTL1MEN1MAPTKMT2A
SCHEMBL31305927 0.79 TRPA1 (0.49) TSHRL3MBTL1MEN1MAPTKMT2A
SCHEMBL5886388 0.76 PTPRC (0.48) TSHRL3MBTL1MEN1MAPTHTT
SCHEMBL7210611 0.76 MAPT (0.50) TSHRL3MBTL1MEN1MAPTHTT
SCHEMBL6232256 0.76 CXCR5 (0.50) TSHRL3MBTL1MEN1KMT2ALMNA
SCHEMBL3060700 0.75 CRBN (0.45) TSHRMAPTLMNATRPA1ALDH1A1
SCHEMBL11687502 0.74 MAOA (0.46) TSHRL3MBTL1MEN1MAPTHTT
SCHEMBL10077585 0.74 TSHR (0.54) TSHRL3MBTL1MEN1MAPTMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885L3MBTL1 4797/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885L3MBTL1 4797/4885MEN1 2817/4885

“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.