SCHEMBL560620

SCHEMBL560620

CCCCCCc1cc(I)c(CCCCCC)cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
CYP3A4 P08684 3/20 0.52
TYR P14679 3/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LIPG Q9Y5X9 1/20 0.44
PTGS2 P35354 7/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL675039 1.00 ALOX5 (0.52) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL23880370 0.98 ALOX5 (0.48) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL12925073 0.91 ALOX5 (0.47) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL725139 0.91 ALOX5 (0.47) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL17767410 0.88 ALOX5 (0.43) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL21286971 0.86 TYR (0.45) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL11983254 0.84 THRA (0.42) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL3657714 0.81 ALOX5 (0.44) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL5684607 0.81 TYR (0.53) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL28209900 0.80 ESR1 (0.53) ALOX5CYP3A4TYRTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104302387-B Metal organic framework with exceptionally large pore openings 加利福尼亚大学董事会 2019-06-18 CN disclosed
EP-2766046-B1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES UNIV CALIFORNIA (US) 2017-08-02 EP disclosed
US-9669098-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
US-9669098-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
US-9669098-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
US-20160008472-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES UNITED STATES DEPARTMENT OF ENERGY 2016-01-14 US disclosed
US-20160008472-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES UNITED STATES DEPARTMENT OF ENERGY 2016-01-14 US disclosed
US-20160008472-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES UNITED STATES DEPARTMENT OF ENERGY 2016-01-14 US disclosed
US-9078922-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-14 US disclosed
US-9078922-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-14 US disclosed
US-8658751-B2 Molecule-based magnetic polymers and methods THE UNIVERSITY OF AKRON (US) 2014-02-25 US disclosed
US-8658751-B2 Molecule-based magnetic polymers and methods THE UNIVERSITY OF AKRON (US) 2014-02-25 US disclosed
WO-2013112212-A2 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-01 WO disclosed
US-20130122297-A1 MOLECULAR GAUGE BLOCKS FOR BUILDING ON THE NANOSCALE NORTHWESTERN UNIVERSITY (US) 2013-05-16 US disclosed
US-20130096210-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 US disclosed
US-20130096210-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 US disclosed
US-20130096210-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 US disclosed
US-20120035330-A1 MOLECULE-BASED MAGNETIC POLYMERS AND METHODS THE UNIVERSITY OF AKRON 2012-02-09 US disclosed
US-20120035330-A1 MOLECULE-BASED MAGNETIC POLYMERS AND METHODS THE UNIVERSITY OF AKRON 2012-02-09 US disclosed
US-7718760-B2 π-Conjugated polymer and manufacturing method thereof RICOH COMPANY, LTD. (JP) 2010-05-18 US 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-20160008472-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES AP3M1, AP2M1, AP2A2 ALOX5 1076/4885CYP3A4 1680/4885TYR 1373/4885
US-20130096210-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES AP3M1, AP2M1, AP2A2 ALOX5 1076/4885CYP3A4 1680/4885TYR 1373/4885
US-20130122297-A1 MOLECULAR GAUGE BLOCKS FOR BUILDING ON THE NANOSCALE POF1B, PCNA, OGG1 ALOX5 1523/4885CYP3A4 4119/4885TYR 2127/4885

“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.