SCHEMBL16436992

SCHEMBL16436992

c1cc(CNCCCNCCCNC2CCCCC2)cc(CNCCCNCCCNC2CCCCC2)c1

nearest known ligand 0.97

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 15/20 0.97
CXCL12 P48061 1/20 0.74
POLB P06746 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CHRM2 P08172 1/20 0.47

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
SCHEMBL16436991 0.92 CXCR4 (0.82) CXCR4CXCL12POLBSIGMAR1ALDH1A1
SCHEMBL17733658 0.92 CXCR4 (0.86) CXCR4CXCL12POLBSIGMAR1ALDH1A1
SCHEMBL9885505 0.85 CXCR4 (0.76) CXCR4CXCL12
SCHEMBL9884969 0.85 CXCR4 (0.76) CXCR4CXCL12POLBSIGMAR1ALDH1A1
SCHEMBL16264581 0.83 CXCR4 (0.68) CXCR4CXCL12SIGMAR1CHRM2
SCHEMBL9885528 0.82 CXCR4 (0.85) CXCR4CXCL12
Hydrochloric Acid SCHEMBL29778273 0.82 CXCR4 (0.67) CXCR4CXCL12SIGMAR1CHRM2
SCHEMBL11509945 0.80 ALDH1A1 (0.68) CXCR4POLBALDH1A1
SCHEMBL9252404 0.80 ALDH1A1 (0.68) CXCR4POLBALDH1A1
SCHEMBL10939737 0.78 CXCR4 (0.66) CXCR4CXCL12

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
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-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-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-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

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 CXCR4 4682/4885CXCL12 4141/4885POLB 479/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CXCR4 4572/4885CXCL12 3987/4885POLB 446/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CXCR4 4612/4885CXCL12 4214/4885POLB 495/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CXCR4 4612/4885CXCL12 4214/4885POLB 495/4885

“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.