SCHEMBL4867176

SCHEMBL4867176

COC(=O)c1cc(-c2ccc(C)cc2)cc2c1OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 2/20 0.38
AXL P30530 1/20 0.36
FTO Q9C0B1 1/20 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
SCHEMBL4868951 0.90 SLC6A4 (0.46) NR4A2ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4860753 0.88 MCL1 (0.44) ALDH1A1KMT2AKDM4EGAAHSD17B10
SCHEMBL4871083 0.87 ALDH1A1 (0.41) NR4A2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4871124 0.83 KDM4E (0.40) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4870705 0.81 TACR3 (0.38) NR4A2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4868416 0.81 ALDH1A1 (0.41) NR4A2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4868406 0.81 KDM4E (0.42) NR4A2ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4863014 0.79 KDM4E (0.37) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4867441 0.78 CNR1 (0.41) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL8285503 0.77 TRPA1 (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4EMAPT

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 NR4A2 2527/4885ALDH1A1 46/4885SMN1; SMN2 1274/4885

“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.