SCHEMBL3079261

SCHEMBL3079261

COc1cccc(OC)c1OCCCCBr

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP2D6 P10635 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
MAPK1 P28482 2/20 0.54
LMNA P02545 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
PLAU P00749 1/20 0.48
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45

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
SCHEMBL3062573 0.94 SMN1; SMN2 (0.77) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL3073425 0.90 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL7819615 0.89 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL8552300 0.88 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL7908108 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL15380727 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL3069851 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL11092732 0.83 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL3070239 0.82 L3MBTL1 (0.65) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL30416454 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1

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 SMN1; SMN2 4291/4885MEN1 2817/4885KMT2A 3839/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 SMN1; SMN2 4291/4885MEN1 2817/4885KMT2A 3839/4885

“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.