SCHEMBL31344196

SCHEMBL31344196

COc1c2c(c(OC)c(OC)c1OC)C(=O)c1ccccc1C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
MAPT P10636 8/20 0.51
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
MAOA P21397 1/20 0.48
CES1 P23141 2/20 0.46
BCHE P06276 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
DUSP3 P51452 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 2/20 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
SCHEMBL11691658 0.77 MAPT (0.63) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
Anthrone SCHEMBL2374325 0.73 MAOA (0.82) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL6906412 0.72 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL20594366 0.72 KDM4E (0.68) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL31589075 0.71 MAOA (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL15960870 0.71 MAOA (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL6903907 0.71 MAOA (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL11146304 0.71 MAPT (0.54) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL260885 0.69 MAOA (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL29220656 0.69 MAOA (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1

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
EP-4739648-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2026-05-13 EP claimed
WO-2025011972-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2025-01-16 WO claimed
EP-4739648-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2026-05-13 EP disclosed
WO-2025108852-A1 PROCESS FOR THE PREPARATION OF UNSATURATED ESTERS BASF SE (DE) 2025-05-30 WO disclosed
WO-2025011972-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2025-01-16 WO disclosed