SCHEMBL6164364

SCHEMBL6164364

COC(=O)c1cccc(C(=O)C(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
RAB9A P51151 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC7A5 Q01650 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 2/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 2/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL28396648 0.87 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL34953 0.86 TSHR (0.70) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL316708 0.85 TSHR (0.53) TSHRLOXL2CYP4F2CYP4A11RAB9A
Potassium SCHEMBL30190417 0.84 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL9943503 0.84 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
Ammonia Solution, Strong SCHEMBL28556515 0.84 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL8054504 0.84 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL10941453 0.84 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL29966404 0.84 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
Lithium SCHEMBL29634258 0.84 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 TSHR 3817/4885LOXL2 3737/4885CYP4F2 405/4885

“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.