SCHEMBL5757673

SCHEMBL5757673

COc1ccc2c(c1)Cc1ccccc1O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
ACSL1 P33121 1/20 0.52
DRD2 P14416 7/20 0.50
DRD1 P21728 7/20 0.50
DRD5 P21918 7/20 0.50
DRD3 P35462 7/20 0.50
DRD4 P21917 6/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR2A P28223 1/20 0.47
TRPA1 O75762 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
SCHEMBL30396392 0.91 DRD2 (0.50) MAOAMAOBACSL1DRD2DRD1
SCHEMBL7511173 0.90 MAOA (0.59) MAOAMAOBACSL1DRD2DRD1
SCHEMBL28396436 0.82 DRD2 (0.44) ACSL1DRD2DRD1DRD5DRD3
SCHEMBL8377614 0.82 NPC1 (0.53) MAOAMAOBGAAKDM4ENPC1
SCHEMBL7513492 0.79 MAOA (0.49) MAOAMAOBACSL1DRD2DRD3
SCHEMBL6900363 0.77 DRD1 (0.74) MAOBDRD2DRD1DRD5DRD3
SCHEMBL18417133 0.77 TRPA1 (0.57) MAOAGAAKDM4ENPC1ALDH1A1
SCHEMBL5369640 0.77 MAOA (0.56) MAOAMAOBGAAKDM4ENPC1
SCHEMBL9455528 0.77 MAOA (0.81) MAOAMAOBACSL1GAANPC1
Xanthene SCHEMBL4267 0.77 MAOA (1.00) MAOAMAOBACSL1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114016058-B Method for electrochemically synthesizing alkyl sulfone compound 桂林医学院 2022-12-16 CN disclosed
CN-114016058-A Method for electrochemically synthesizing alkyl sulfone compound 桂林医学院 2022-02-08 CN disclosed
CN-111057037-B Ultraviolet light-promoted synthesis method of xanthone compound 浙江工业大学 2021-07-23 CN disclosed
CN-111057037-A Ultraviolet light-promoted synthesis method of xanthone compound 浙江工业大学 2020-04-24 CN disclosed
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
EP-1119554-A4 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX INC (US) 2002-05-08 EP 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
EP-1119554-A1 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX, INC. (US) 2001-08-01 EP disclosed
US-6162610-A Xanthan-ester and acridan substrates for horseradish peroxidase TROPIX, INC. (US) 2000-12-19 US disclosed
WO-2000015618-A1 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX, INC. (US) 2000-03-23 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 MAOA 3691/4885MAOB 3802/4885ACSL1 1514/4885

“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.