SCHEMBL18223035

SCHEMBL18223035

CCCCC(CC)COc1cc(CC(N)CCNCCCN)cc(CC(N)CCNCCCN)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.39
▸ SIGMAR1 Q99720 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL16429163 0.93 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL16429184 0.86 ALDH1A1 (0.38) SIGMAR1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL16264583 0.85 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL29778362 0.85 ALDH1A1 (0.37) SIGMAR1ALDH1A1TSHRPTGESALOX5
Hydrochloric Acid SCHEMBL29778321 0.84 CYP3A4 (0.41) CYP3A4ALDH1A1TDP1CHRNB2CHRNB4
SCHEMBL16428993 0.81 — —
SCHEMBL18223037 0.81 CYP3A4 (0.40) CYP3A4SIGMAR1ALDH1A1TDP1TSHR
SCHEMBL19696562 0.78 MC4R (0.36) CYP3A4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18223036 0.78 CA12 (0.43) TDP1TSHRCA2
SCHEMBL16264600 0.76 MC4R (0.40) —

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 4 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-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

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-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMS, SMOX CYP3A4 4803/4885SIGMAR1 1551/4885ALDH1A1 2702/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CYP3A4 4788/4885SIGMAR1 1642/4885ALDH1A1 2159/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CYP3A4 4796/4885SIGMAR1 1771/4885ALDH1A1 2704/4885

“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.

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