SCHEMBL5753228

SCHEMBL5753228

COc1cccc2c1[C@@H](C(=O)O)c1ccccc1O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 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
SCHEMBL5753223 1.00 TSHR (0.51) TSHRLMNAHTTKDM4EALDH1A1
SCHEMBL5755775 0.87 TSHR (0.50) TSHRLMNAHTTKDM4EALDH1A1
SCHEMBL5755773 0.87 TSHR (0.50) TSHRLMNAHTTKDM4EALDH1A1
SCHEMBL5753824 0.83 HTT (0.48) TSHRLMNAHTTKDM4EALDH1A1
SCHEMBL5753818 0.83 HTT (0.48) TSHRLMNAHTTKDM4EALDH1A1
SCHEMBL4214722 0.81 HTT (0.55) TSHRLMNAHTTATMMEN1
SCHEMBL27621790 0.78 ATM (0.51) TSHRLMNAHTTALDH1A1ATM
SCHEMBL4298019 0.78 ATM (0.56) TSHRLMNAHTTALDH1A1ATM
Xanthene Carboxylic Acid SCHEMBL30011680 0.78 ATM (0.68) TSHRLMNAHTTALDH1A1ATM
Xanthene Carboxylic Acid SCHEMBL40617 0.78 ATM (0.68) TSHRLMNAHTTALDH1A1ATM

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 6 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
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
EP-1303499-B1 TETRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-07-12 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

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 TSHR 186/4885LMNA 4874/4885HTT 599/4885

“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.