SCHEMBL16429184

SCHEMBL16429184

CCCCOc1cc(CC(N)CCNCCCN)cc(CC(N)CCNCCCN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ ITGB3 P05106 3/20 0.37
▸ ITGA2B P08514 3/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34

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
Hydrochloric Acid SCHEMBL29778362 0.99 ALDH1A1 (0.37) ALDH1A1ITGB3ITGA2BCARM1KMT2A
SCHEMBL16246956 0.86 CARM1 (0.38) ALDH1A1CARM1KMT2AKDM4EDRD2
SCHEMBL18223035 0.86 CYP3A4 (0.39) ALDH1A1TSHRPTGESALOX5PPARG
SCHEMBL16429163 0.85 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18223036 0.83 CA12 (0.43) KMT2ATSHR
SCHEMBL16429501 0.82 GRIN2D (0.38) CARM1KMT2ATSHRCHRNB2CHRNB4
SCHEMBL16429451 0.81 CNR1 (0.38) ALDH1A1KMT2ASLC2A1KDM4ECNR1
SCHEMBL16429306 0.80 BCHE (0.44) KMT2A
SCHEMBL16264579 0.80 CNR1 (0.44) ALDH1A1CARM1KMT2ATSHRKDM4E
Hydrochloric Acid SCHEMBL29778341 0.79 CNR1 (0.44) ALDH1A1CARM1KMT2ATSHRKDM4E

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 6 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
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

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 ALDH1A1 2702/4885ITGB3 1624/4885ITGA2B 2776/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS ALDH1A1 2159/4885ITGB3 1567/4885ITGA2B 2560/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS ALDH1A1 2704/4885ITGB3 1472/4885ITGA2B 2644/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS ALDH1A1 2704/4885ITGB3 1472/4885ITGA2B 2644/4885

“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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