SCHEMBL3072812

SCHEMBL3072812

COCCOc1c(CCl)cccc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.49
HTR1A P08908 4/20 0.44
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.41
BCHE P06276 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3066643 0.92 SMN1; SMN2 (0.62) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A
SCHEMBL1057701 0.92 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A
SCHEMBL1056229 0.87 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A
SCHEMBL18608388 0.85 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A
SCHEMBL6550273 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A
SCHEMBL3079874 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A
SCHEMBL4113689 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A
SCHEMBL2500056 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1MEN1ALDH1A1CYP1A2
SCHEMBL12844541 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A
SCHEMBL12775941 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1HTR1AADRA1DADRA1A

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 4291/4885MAPK1 1717/4885HTR1A 1169/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 SMN1; SMN2 4291/4885MAPK1 1717/4885HTR1A 1169/4885

“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.