SCHEMBL5525073

SCHEMBL5525073

CN(C)c1cc(CO)cc(Br)c1-c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
MGAM O43451 5/20 0.33
GAA P10253 5/20 0.33
SI P14410 5/20 0.33
MGAM2 Q2M2H8 5/20 0.33
APP P05067 2/20 0.32
ESRRG P62508 1/20 0.32
ALOX15 P16050 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
CCR5 P51681 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MCL1 Q07820 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
AR P10275 1/20 0.31
ESR1 P03372 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL5523932 0.84 ACHE (0.43) ACHESENP1MGAMGAASI
SCHEMBL6058489 0.78 ACHE (0.38) ACHESENP1MGAMGAASI
SCHEMBL6059195 0.76 USP7 (0.37) ACHESENP1MMP2MMP3ESR1
SCHEMBL6059279 0.76 ESR1 (0.34) ACHESENP1MGAMGAASI
Phenol SCHEMBL7160743 0.73 MMP3 (0.37) ACHESENP1MGAMGAASI
SCHEMBL6704388 0.72 ESR1 (0.47) MGAMGAASIMGAM2ESRRG
SCHEMBL5531079 0.71 VHL (0.37) ACHESENP1MGAMGAASI
SCHEMBL5528639 0.71 BACE1 (0.38) GAAESR1
SCHEMBL23665864 0.70 SLC6A2 (0.37) APPRXRARXRBCCR5
SCHEMBL28231446 0.70 APP (0.47) SENP1MGAMGAASIMGAM2

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
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2007-10-25 US claimed
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2007-10-25 US disclosed
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2007-10-25 US disclosed
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2007-10-25 US disclosed
EP-1833472-A2 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) Aventis Pharmaceuticals Inc. (US) 2007-09-19 EP disclosed
WO-2006073726-A2 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2006-07-13 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-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) MSR1, GMFG, PMP22 ACHE 245/4885SENP1 1622/4885MGAM 4580/4885

“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.