SCHEMBL1414014

SCHEMBL1414014

CCOc1cc(C=O)cc(Br)c1OCc1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 5/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 4/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP3A4 P08684 1/20 0.49
XBP1 P17861 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
APP P05067 1/20 0.48
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 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
SCHEMBL2513277 0.94 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL4160507 0.89 MAOB (0.52) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2514148 0.84 APP (0.49) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2462874 0.84 KMT2A (0.51) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL1414062 0.83 HTR1A (0.55) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL1413931 0.83 MAPT (0.56) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL2511877 0.83 LMNA (0.42) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL2515097 0.80 APP (0.46) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL2511985 0.80 MAOB (0.44) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2463869 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKMT2AHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994189-B2 Dihydropyridine derivatives N.V. ORGANON (NL) 2011-08-09 US disclosed
EP-1879866-B1 DIHYDROPYRIDINE DERIVATIVES ORGANON NV (NL) 2011-03-16 EP disclosed
US-20090215773-A1 DIHYDROPYRIDINE DERIVATIVES N.V.ORGANON (NL) 2009-08-27 US disclosed
EP-1879866-A1 DIHYDROPYRIDINE DERIVATIVES N.V. Organon (NL) 2008-01-23 EP disclosed
WO-2006117023-A1 DIHYDROPYRIDINE DERIVATIVES N.V. ORGANON (NL) 2006-11-09 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 (1 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-20090215773-A1 DIHYDROPYRIDINE DERIVATIVES CATSPER1, ODC1, ADH1C ALDH1A1 124/4885LMNA 3311/4885MAPT 4079/4885

“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.