SCHEMBL5755601

SCHEMBL5755601

COc1ccc2c(c1)C(C(=O)O)c1ccccc1O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR3C1 P04150 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
USP2 O75604 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL5755607 1.00 GAA (0.54) GAAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL8182987 0.91 NR3C1 (0.57) GAAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL8190172 0.90 NR3C1 (0.46) GAAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL5755454 0.87 GAA (0.53) GAAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL5755449 0.87 GAA (0.53) GAAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL8797397 0.81 ALDH1A1 (0.49) GAAMEN1KMT2AMAPTALDH1A1
Xanthene Carboxylic Acid SCHEMBL30011680 0.81 ATM (0.68) L3MBTL1CYP2C9MEN1KMT2AMAPT
Xanthene Carboxylic Acid SCHEMBL40617 0.81 ATM (0.68) L3MBTL1CYP2C9MEN1KMT2AMAPT
SCHEMBL8183919 0.81 ALOX5 (0.54) L3MBTL1CYP1A2CYP2C9CYP2C19MEN1
Xanthene Carboxylic Acid SCHEMBL9551091 0.79 ATM (0.66) L3MBTL1CYP2C9MEN1KMT2AMAPT

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
EP-1303499-B1 TETRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-07-12 EP claimed
EP-1303499-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
US-6399641-B1 FOR THERAPY AND PROPHYLAXIS OF PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES ETC. HOFFMANN-LA ROCHE INC. 2002-06-04 US claimed
US-20020022648-A1 Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists HOFFMANN-LA ROCHE INC. 2002-02-21 US claimed
WO-2002006254-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO claimed
EP-1303499-B1 TETRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-07-12 EP disclosed
EP-1303499-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6399641-B1 FOR THERAPY AND PROPHYLAXIS OF PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES ETC. HOFFMANN-LA ROCHE INC. 2002-06-04 US disclosed
US-20020022648-A1 Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists HOFFMANN-LA ROCHE INC. 2002-02-21 US disclosed
WO-2002006254-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020022648-A1 Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists GRM1, GRM3, GRM2 GAA 3209/4885L3MBTL1 3555/4885CYP1A2 4191/4885

“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.