SCHEMBL1800634

SCHEMBL1800634

O=Cc1cccc(CCOC2CCCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DHFR P00374 1/20 0.35
CHEK1 O14757 1/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
KCNA5 P22460 1/20 0.35
SCN5A Q14524 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL18046352 0.93 KDM4C (0.46) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL8127296 0.87 KDM4C (0.42) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL6202374 0.84 KDM4C (0.46) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL4130417 0.81 MEN1 (0.48) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL4070469 0.81 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL5422297 0.81 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL10686057 0.81 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL13953759 0.81 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL14065688 0.81 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL1800977 0.81 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1

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
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-7786113-B2 Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US disclosed
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-01-10 US disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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 (3 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-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents RCC2, ACMSD, CPS1 KDM4C 560/4885L3MBTL1 4578/4885NPC1 386/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 KDM4C 2561/4885L3MBTL1 3236/4885NPC1 847/4885
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4C 4854/4885L3MBTL1 3773/4885NPC1 1506/4885

“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.