SCHEMBL6119786

SCHEMBL6119786

COC(=O)c1ccc(COc2cccc(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAOB P27338 5/20 0.58
NPC1 O15118 3/20 0.58
MRGPRX4 Q96LA9 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.54
SMPD1 P17405 1/20 0.53
CYP3A4 P08684 1/20 0.52
KCNH2 Q12809 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51

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
SCHEMBL14966389 0.86 TDP1 (0.60) RAB9AMAPTL3MBTL1MEN1KMT2A
SCHEMBL13462818 0.86 SMN1; SMN2 (0.62) RAB9AMAPTL3MBTL1LMNAMEN1
SCHEMBL15296747 0.86 MAOB (0.74) RAB9AMAPTLMNAMEN1KMT2A
SCHEMBL6121170 0.85 RXRA (0.69) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8231874 0.84 MAOB (0.75) MAOBMRGPRX4
SCHEMBL694037 0.84 RXRA (0.72) RAB9AMAPTL3MBTL1LMNAMEN1
SCHEMBL14966572 0.84 MAOB (0.63) RAB9AMAPTL3MBTL1LMNAMEN1
SCHEMBL27893789 0.84 MRGPRX4 (0.59) RAB9AMAPTL3MBTL1LMNAMEN1
SCHEMBL14966748 0.84 TDP1 (0.57) RAB9AMAPTL3MBTL1LMNAMEN1
SCHEMBL6162284 0.83 SMN1; SMN2 (0.79) RAB9AMAPTL3MBTL1LMNAMEN1

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
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 US disclosed
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP 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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 RAB9A 3403/4885MAPT 3877/4885L3MBTL1 925/4885

“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.