SCHEMBL16247142

SCHEMBL16247142

CCC(CC)COc1cc(C=O)cc(C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A3 P47895 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
FDPS P14324 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL2206740 0.83 MAOA (0.54) MAOAMAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL6685868 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL5883815 0.78 ALDH1A1 (0.47) MAOAMAOBALDH1A1LMNAMAPT
SCHEMBL14835623 0.76 ALDH1A1 (0.46) THRATHRBALDH1A1LMNAMAPT
SCHEMBL3579166 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL18559911 0.75 APP (0.48) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL14316911 0.75 ALDH1A1 (0.44) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL273282 0.74 ALDH1A1 (0.47) MAOAMAOBALDH1A1LMNAMAPT
SCHEMBL16247012 0.73 SMN1; SMN2 (0.51) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL13444759 0.72 ESR1 (0.59) MAOBALDH1A1NPC1RAB9ATDP1

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 THRA 4462/4885THRB 4160/4885MAOA 116/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS THRA 4523/4885THRB 4287/4885MAOA 116/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS THRA 4527/4885THRB 4336/4885MAOA 110/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS THRA 4527/4885THRB 4336/4885MAOA 110/4885

“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.