SCHEMBL3070239

SCHEMBL3070239

COc1ccccc1OCCCCBr

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.65
TDP1 Q9NUW8 2/20 0.65
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 6/20 0.54
HPGD P15428 4/20 0.54
NPC1 O15118 3/20 0.54
HSD17B10 Q99714 2/20 0.54
RAB9A P51151 2/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAPK1 P28482 1/20 0.50
MIF P14174 1/20 0.50
CYP1A2 P05177 2/20 0.49

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
SCHEMBL7820909 0.98 ALDH1A1 (0.65) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3066454 0.94 L3MBTL1 (0.61) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL30674530 0.94 L3MBTL1 (0.61) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29742239 0.89 L3MBTL1 (0.77) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL15380425 0.89 KDM4E (0.50) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL30674616 0.88 L3MBTL1 (0.58) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3528579 0.88 L3MBTL1 (0.58) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29742293 0.85 L3MBTL1 (0.70) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7819615 0.83 SMN1; SMN2 (0.58) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL17911627 0.83 KDM4E (0.52) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA

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 11 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
EP-0842174-B1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PF MEDICAMENT (FR) 2001-10-04 EP disclosed
US-6011032-A Heterocyclic compounds for treating myocardial ischemia PIERRE FABRE MEDICAMENT (FR) 2000-01-04 US disclosed
EP-0842174-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1998-05-20 EP disclosed
WO-1997005134-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1997-02-13 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 4797/4885TDP1 3607/4885ALDH1A1 142/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 L3MBTL1 4797/4885TDP1 3607/4885ALDH1A1 142/4885

“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.