SCHEMBL3624903

SCHEMBL3624903

Oc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.69
APP P05067 2/20 0.69
NR4A2 P43354 1/20 0.66
LMNA P02545 3/20 0.64
CYP1A2 P05177 1/20 0.64
PTGS1 P23219 1/20 0.64
SLC6A2 P23975 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTGS2 P35354 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HIF1A Q16665 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
MAOA P21397 2/20 0.64
ABCG2 Q9UNQ0 1/20 0.61
DHFR P00374 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CCR6 P51684 1/20 0.54
UBE2N P61088 1/20 0.54

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
SCHEMBL11600066 1.00 MAOB (0.69) MAOBAPPNR4A2LMNACYP1A2
SCHEMBL10991891 0.91 MAOB (0.80) MAOBAPPNR4A2LMNAMAOA
SCHEMBL5633306 0.89 APP (0.79) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL11578826 0.89 APP (0.79) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL416484 0.87 NR4A2 (0.56) MAOBAPPNR4A2LMNACYP1A2
SCHEMBL11314200 0.86 MAOB (0.67) MAOBAPPNR4A2LMNAMAOA
SCHEMBL5511971 0.83 MAOB (0.69) MAOBAPPNR4A2LMNAMAOA
SCHEMBL10494806 0.83 APP (0.70) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL22596639 0.83 APP (0.70) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL5633288 0.83 APP (0.70) APPLMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
CN-1056879-A Pyrrole derivative and preparation method thereof ICI PLC (GB) 1991-12-11 CN claimed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP claimed
EP-2036878-B1 PROCESS FOR PRODUCTION OF ALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-08-22 EP disclosed
US-7745669-B2 Process for production of alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-29 US disclosed
US-20090259074-A1 PROCESS FOR PRODUCTION OF ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-15 US disclosed
EP-2036878-A1 PROCESS FOR PRODUCTION OF ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-03-18 EP disclosed
US-5356894-A Adenosine antagonists SYNGENTA LIMITED (GB) 1994-10-18 US disclosed
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
CN-1056879-A Pyrrole derivative and preparation method thereof ICI PLC (GB) 1991-12-11 CN disclosed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP 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-20090259074-A1 PROCESS FOR PRODUCTION OF ALCOHOL COMPOUND XDH, ADH5, ADH1A MAOB 499/4885APP 3660/4885NR4A2 835/4885

“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.