SCHEMBL3075146

SCHEMBL3075146

O=C(O)c1cccc2c1C(=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 2/20 0.40
ESR1 P03372 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
SCHEMBL30853842 0.84 AURKA (0.53) POLBCYP2A6MAOAMAOBALDH1A1
SCHEMBL3075856 0.80 TSHR (0.42) L3MBTL1POLBCYP2A6MAOAMAOB
SCHEMBL2804516 0.78 PARP1 (0.41) L3MBTL1POLBTDP1ALDH1A1MAPT
SCHEMBL31232909 0.77 ALDH1A1 (0.50) L3MBTL1POLBCYP2A6MAOAMAOB
SCHEMBL3613341 0.77 CXCR5 (0.53) L3MBTL1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2564157 0.76 MAPT (0.52) L3MBTL1TDP1CYP2A6MAOAMAOB
SCHEMBL1339705 0.76 DYRK1A (0.50) POLBCYP2A6MAOAMAOBALDH1A1
SCHEMBL16807888 0.75 MEN1 (0.62) CYP2A6MAOAMAOBALDH1A1MAPT
SCHEMBL4272994 0.74 ALDH1A1 (0.55) L3MBTL1POLBALDH1A1MAPTLMNA
SCHEMBL2808611 0.74 PARP1 (0.51) L3MBTL1POLBTDP1MAOAMAOB

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 L3MBTL1 4797/4885POLB 1031/4885TDP1 3607/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 L3MBTL1 4797/4885POLB 1031/4885TDP1 3607/4885

“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.