SCHEMBL317128

SCHEMBL317128

C=Cc1ccc(COCCCCCCBr)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TEAD3 Q99594 2/20 0.33
UGCG Q16739 10/20 0.32
GBA2 Q9HCG7 10/20 0.32
GBA1 P04062 9/20 0.32
LCT P09848 2/20 0.32
SI P14410 2/20 0.32
MGAM O43451 1/20 0.32
NAAA Q02083 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL28299477 0.98 ALDH1A1 (0.38) TDP1L3MBTL1ALDH1A1TEAD3NAAA
SCHEMBL18868387 0.91 ALDH1A1 (0.44) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL316600 0.89 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL316695 0.86 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1TEAD3NAAA
SCHEMBL8773211 0.85 TDP1 (0.39) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL23727557 0.83 CA1 (0.42) TDP1L3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL10071504 0.83 L3MBTL1 (0.44) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL22966049 0.83 TDP1 (0.38) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL4303930 0.83 CA1 (0.42) TDP1L3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL10068088 0.83 TDP1 (0.38) TDP1L3MBTL1ALDH1A1TEAD3UGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2045014-B1 POLYMER-SUPPORTED METAL COMPLEX CATALYST UNIV HOKKAIDO NAT UNIV CORP (JP) 2014-01-15 EP disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 US disclosed
EP-2045014-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST National University Corporation Hokkaido University (JP) 2009-04-08 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-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST PYM1, ARG1, SCO2 TDP1 4228/4885L3MBTL1 2735/4885ALDH1A1 2736/4885

“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.