SCHEMBL3083050

SCHEMBL3083050

COCCCOc1ccccc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 3/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HRH1 P35367 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
PPARD Q03181 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 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
SCHEMBL19167176 0.91 L3MBTL1 (0.50) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL31361958 0.84 SMN1; SMN2 (0.42) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL8551628 0.84 L3MBTL1 (0.46) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL6427364 0.83 CYP1A2 (0.56) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL13490745 0.83 L3MBTL1 (0.70) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL2806322 0.81 L3MBTL1 (0.50) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL6043540 0.81 L3MBTL1 (0.50) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL2810090 0.81 L3MBTL1 (0.50) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL7562011 0.81 MAPT (0.52) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL6472775 0.81 L3MBTL1 (0.39) L3MBTL1MAPTHPGDATMNPSR1

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 4797/4885MAPT 2397/4885HPGD 423/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 L3MBTL1 4797/4885MAPT 2397/4885HPGD 423/4885

“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.