SCHEMBL4863705

SCHEMBL4863705

CC(C)c1cc2c(c(C(=O)O)c1)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.39
DHODH Q02127 1/20 0.38
HCAR3 P49019 2/20 0.35
HCAR2 Q8TDS4 2/20 0.35
CYP1A2 P05177 1/20 0.35
MCL1 Q07820 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
NOTUM Q6P988 1/20 0.33
SORT1 Q99523 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4863014 0.87 KDM4E (0.37) CNR1
SCHEMBL8285530 0.82 CNR1 (0.44) CNR1HCAR3HCAR2NOTUM
SCHEMBL4870625 0.80 KDM5A (0.36) CNR1DHODH
SCHEMBL4868360 0.79 CNR1 (0.45) CNR1DHODHHCAR3HCAR2
SCHEMBL4867081 0.79 CNR1 (0.44) CNR1DHODHHCAR3HCAR2
SCHEMBL4860753 0.76 MCL1 (0.44) CNR1DHODHMCL1
SCHEMBL4863795 0.76 CNR1 (0.40) CNR1
SCHEMBL8286930 0.76 CNR1 (0.36) CNR1HCAR3HCAR2
SCHEMBL4866967 0.76 CNR1 (0.45) CNR1MCL1
SCHEMBL4860502 0.75 ALOX5 (0.43) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1697394-A2 COMT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-06 EP disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 US 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-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 CNR1 978/4885DHODH 135/4885HCAR3 2101/4885

“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.