SCHEMBL6042539

SCHEMBL6042539

COCCCOc1cc(CO)cc2c(OC)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
PKM P14618 1/20 0.37
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36

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
SCHEMBL6042341 0.89 SMN1; SMN2 (0.42) SMN1; SMN2HPGDL3MBTL1MAPTMAPK1
SCHEMBL6042172 0.85 MRGPRX4 (0.41) HPGDMAPTMAPK1LMNAMRGPRX4
SCHEMBL671178 0.84 CALM1 (0.46) MAPTMRGPRX4KMT2APKMALDH1A1
SCHEMBL6041661 0.83 NR2E1 (0.39) SMN1; SMN2MAPK1LMNAMRGPRX4MEN1
SCHEMBL2807359 0.80 REN (0.48) HPGDPKMALDH1A1
SCHEMBL6950752 0.78 MRGPRX4 (0.50) HPGDLMNANPC1RAB9AMRGPRX4
SCHEMBL2810242 0.76 REN (0.48) SMN1; SMN2HPGDL3MBTL1MAPTNPC1
SCHEMBL29521379 0.76 REN (0.48) SMN1; SMN2HPGDL3MBTL1MAPTNPC1
SCHEMBL90116 0.76 ALOX15 (0.39) SMN1; SMN2HPGDL3MBTL1MAPTMAPK1
SCHEMBL6041628 0.75 CDC25B (0.49) SMN1; SMN2L3MBTL1MAPTMAPK1NPC1

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-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 SMN1; SMN2 1096/4885HPGD 1509/4885L3MBTL1 1516/4885

“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.