SCHEMBL3077526

SCHEMBL3077526

CCOc1ccc(CBr)cc1OCCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
CALM1 P0DP23 3/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL1039963 0.87 REN (0.48) MAPTL3MBTL1TDP1HPGDRAB9A
SCHEMBL7651768 0.87 CALM1 (0.49) BIRC5MAPTTDP1HPGDCALM1
SCHEMBL20482623 0.82 MEN1 (0.48) RAB9AATMMAPK1CYP3A4MEN1
SCHEMBL11801348 0.82 BIRC5 (0.53) BIRC5MAPTS1PR2S1PR1S1PR3
SCHEMBL4743467 0.81 L3MBTL1 (0.41) BIRC5MAPTL3MBTL1HPGDATM
SCHEMBL3979694 0.81 TSHR (0.41) BIRC5MAPTL3MBTL1TDP1HPGD
SCHEMBL3081718 0.81 SLC6A4 (0.50) BIRC5MAPTL3MBTL1TDP1HPGD
SCHEMBL5669999 0.80 BIRC5 (0.51) BIRC5MAPTHPGDS1PR2S1PR1
SCHEMBL7954853 0.79 TAAR1 (0.42) TDP1CALM1MAPK1LMNACYP3A4
SCHEMBL3977128 0.79 L3MBTL1 (0.43) MAPTL3MBTL1TDP1HPGDRAB9A

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 BIRC5 3282/4885MAPT 2397/4885L3MBTL1 4797/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 BIRC5 3282/4885MAPT 2397/4885L3MBTL1 4797/4885

“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.