SCHEMBL511009

SCHEMBL511009

Clc1ccc(Oc2c[c]ccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PGR P06401 2/20 0.39
HAO1 Q9UJM8 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
LTA4H P09960 4/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL28072263 0.85 LTA4H (0.55) MAOAMAOBLTA4HTSHRMEN1
SCHEMBL8155454 0.85 LTA4H (0.43) MAOAMAOBLTA4HTSHRMEN1
SCHEMBL61732 0.83 LTA4H (0.57) MAOAMAOBLTA4HTSHRMEN1
SCHEMBL1282838 0.82 TERT (0.39) PGRHTR2ASLC6A4LTA4HTSHR
SCHEMBL27493063 0.82 LTA4H (0.50) MAOAMAOBLTA4HTSHRMEN1
SCHEMBL9450784 0.81 LTA4H (0.42) MAOAMAOBLTA4HTSHRMEN1
SCHEMBL919571 0.81 AR (0.44) HTR2ASLC6A4SMN1; SMN2ARCYP1A2
SCHEMBL920289 0.80 TEAD4 (0.47) HTR2ASLC6A4LTA4HTSHRMEN1
SCHEMBL157734 0.80 SOS1 (0.40) MAOAMAOBLTA4HTSHRMEN1
SCHEMBL4909322 0.80 MAPT (0.47) MAOAMAOBSLC6A4LTA4HTSHR

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 349 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725290-A Fused heterocyclic compounds as ion channel modulators GILEAD PALO ALTO INC 2012-10-10 CN claimed
US-20100168167-A1 Piperidinones Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-07-01 US claimed
EP-2134686-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2009-12-23 EP claimed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
CN-101505751-A 8-hydroxyquinoline compounds and methods thereof WYETH CORP (US) 2009-08-12 CN claimed
EP-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP claimed
WO-2008110793-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-09-18 WO claimed
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP claimed
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines ALTANA PHARMA AG (DE) 2007-12-13 US claimed
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US claimed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US claimed
CN-1019191-B INSECTICIDAL ETHERS ICI PLC (GB) 1992-11-25 CN claimed
CN-1019109-B The insect-killing composition that contains diphenyl ether derivatives pesticide compound ICI PLC (GB) 1992-11-18 CN claimed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP claimed
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP claimed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP claimed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US claimed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP claimed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP claimed
CN-86105891-A Desinsection ether 1987-02-25 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC MAOA 1136/4885MAOB 474/4885PGR 398/4885
US-20100168167-A1 Piperidinones Useful in the Treatment of Inflammation ARG1, ARG2, PRMT1 MAOA 3501/4885MAOB 2681/4885PGR 494/4885

“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.