SCHEMBL4870587

SCHEMBL4870587

COCOc1ccc(C(F)(F)F)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37

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
SCHEMBL29953675 0.81 KDM4E (0.42) KDM4EHTTKMT2ACYP1A2CYP2C9
SCHEMBL8936738 0.81 KDM4E (0.42) KDM4EHTTKMT2ACYP1A2CYP2C9
SCHEMBL1331644 0.80 L3MBTL1 (0.47) KMT2ACYP1A2ALDH1A1L3MBTL1LMNA
SCHEMBL10107044 0.78 IDO1 (0.42) KDM4EHTTKMT2ACYP1A2CYP2C9
SCHEMBL30994957 0.78 KDM4E (0.39) KDM4EHTTKMT2ACYP1A2CYP2C9
SCHEMBL1042131 0.78 KDM4E (0.39) KDM4EHTTKMT2ACYP1A2CYP2C9
SCHEMBL31026298 0.77 KDM4E (0.41) KDM4EHTTKMT2ACYP1A2CYP2C9
SCHEMBL29276098 0.77 KDM4E (0.38) KDM4EHTTKMT2ACYP1A2CYP2C9
SCHEMBL1138862 0.77 L3MBTL1 (0.46) KDM4EHTTKMT2ACYP1A2CYP2C19
Water SCHEMBL27635873 0.77 KDM4E (0.38) KDM4EHTTKMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100447149-C COMT inhibitors HOFFMANN LA ROCHE (CH) 2008-12-31 CN 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
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
CN-1886416-A COMT inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN 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 KDM4E 1075/4885HTT 447/4885KMT2A 970/4885

“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.