SCHEMBL16247136

SCHEMBL16247136

O=Cc1cc(C=O)cc(OCC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.50
TLR2 O60603 2/20 0.50
PARP10 Q53GL7 9/20 0.47
PARP15 Q460N3 8/20 0.47
HPGD P15428 2/20 0.46
PARP2 Q9UGN5 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 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
SCHEMBL25817145 0.91 TLR4 (0.46) TLR4TLR2PARP10PARP15HPGD
SCHEMBL27197634 0.89 TLR4 (0.45) TLR4TLR2PARP10PARP15HPGD
SCHEMBL4569118 0.89 TLR4 (0.45) TLR4TLR2PARP10PARP15HPGD
SCHEMBL13881581 0.87 TLR4 (0.44) TLR4TLR2PARP10PARP15HPGD
SCHEMBL18002261 0.85 TLR4 (0.43) TLR4TLR2PARP10PARP15HPGD
SCHEMBL20483478 0.85 TLR4 (0.43) TLR4TLR2PARP10PARP15HPGD
SCHEMBL18002090 0.85 TLR4 (0.43) TLR4TLR2PARP10PARP15HPGD
SCHEMBL2204448 0.84 TLR4 (0.66) TLR4TLR2PARP10PARP15MAOA
SCHEMBL2208063 0.84 TLR4 (0.66) TLR4TLR2PARP10PARP15MAOA
SCHEMBL31220908 0.84 TLR4 (0.66) TLR4TLR2PARP10PARP15MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999345-B1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL LLC (US) 2022-08-10 EP disclosed
US-10440955-B2 Methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2019-10-15 US disclosed
US-10440955-B2 Methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2019-10-15 US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 US disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 US disclosed
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 US disclosed
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
EP-2999345-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE Curza Global LLC (US) 2016-03-30 EP disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 WO disclosed
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 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 (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-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMS, SMOX TLR4 4683/4885TLR2 3356/4885PARP10 194/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS TLR4 4665/4885TLR2 3392/4885PARP10 200/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS TLR4 4745/4885TLR2 3652/4885PARP10 262/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS TLR4 4745/4885TLR2 3652/4885PARP10 262/4885

“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.