SCHEMBL3243180

SCHEMBL3243180

ClCc1cccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.54
DRD2 P14416 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
BCHE P06276 9/20 0.52
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ABCB1 P08183 2/20 0.46
GAA P10253 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
FOLH1 Q04609 1/20 0.46

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
SCHEMBL8964423 0.89 BCHE (0.68) L3MBTL1BCHEKDM4E
SCHEMBL547985 0.85 HTR1A (0.67) HTR1ADRD2L3MBTL1MAPTMAPK1
SCHEMBL6215213 0.83 MAPT (0.67) HTR1ADRD2L3MBTL1MAPTMAPK1
SCHEMBL22357317 0.81 KDM1A (0.51) HTR1ADRD2L3MBTL1MAPTMAPK1
SCHEMBL7450789 0.81 MAPT (0.71) HTR1ADRD2L3MBTL1MAPTMAPK1
SCHEMBL29048659 0.80 HTR1A (0.56) HTR1ADRD2L3MBTL1MAPTMAPK1
SCHEMBL17583859 0.80 LTA4H (0.58) HTR1ADRD2L3MBTL1MAPTMAPK1
SCHEMBL10583993 0.80 FABP4 (0.60) HTR1ADRD2L3MBTL1MAPTMAPK1
SCHEMBL10591847 0.79 FABP4 (0.72) HTR1ADRD2L3MBTL1MAPTMAPK1
SCHEMBL19612456 0.79 HTR1A (0.63) HTR1ADRD2L3MBTL1MAPTMAPK1

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
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 US disclosed
US-20060241173-A1 A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers STERIX LTD. 2006-10-26 US disclosed
US-7098343-B2 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STERIX, LIMITED (GB) 2006-08-29 US disclosed
US-20060142360-A1 Compound RICHTER GEDEON NYRT. (HU) 2006-06-29 US disclosed
EP-1446388-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS Sterix Limited (GB) 2004-08-18 EP disclosed
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor RICHTER GEDEON NYRT. (HU) 2004-01-29 US disclosed
WO-2003045925-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2003-06-05 WO disclosed
EP-0293532-A1 6- or 7-beta-[2-[4-(substituted)-2,3-dioxopiperazin-1-yl) carbonylamino]-(substituted)acetamido]-penicillin and cephalosporin derivatives BEECHAM GROUP PLC (GB) 1988-12-07 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 (4 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-20090111862-A1 Compound QPCT, SQOR, SDHA HTR1A 3715/4885DRD2 50/4885L3MBTL1 3430/4885
US-20060241173-A1 A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers STS, SULT1E1, CYP19A1 HTR1A 1706/4885DRD2 3258/4885L3MBTL1 4856/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA HTR1A 3715/4885DRD2 50/4885L3MBTL1 3430/4885
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STS, CYP21A2, SULT1E1 HTR1A 3202/4885DRD2 706/4885L3MBTL1 4368/4885

“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.