SCHEMBL1713412

SCHEMBL1713412

CCCCN(CCCC)C(N(C)C)=[N+](C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
ALDH1A1 P00352 2/20 0.40
ALDH2 P05091 1/20 0.40
CA2 P00918 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
DNM1 Q05193 3/20 0.32
MGLL Q99685 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
Bromide SCHEMBL1535791 0.98 CA12 (0.39) CA12CA1CA9ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL25406791 0.98 CA12 (0.39) CA12CA1CA9ALDH1A1ALDH2
SCHEMBL17363406 0.98 CA12 (0.39) CA12CA1CA9ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL17363346 0.96 CA12 (0.38) CA12CA1CA9ALDH1A1ALDH2
SCHEMBL5878882 0.91 CA12 (0.45) CA12CA1CA9ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL25406673 0.91 CA12 (0.41) CA12CA1CA9ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL25324973 0.90 CA12 (0.44) CA12CA1CA9ALDH1A1ALDH2
Acetic Acid SCHEMBL23853010 0.89 CA1 (0.41) CA12CA1CA9ALDH1A1ALDH2
SCHEMBL20527595 0.88 CA12 (0.44) CA12CA1CA9ALDH1A1ALDH2
SCHEMBL8716918 0.86 CA12 (0.39) CA12CA1CA9ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292627-B1 Aqueous catalytic process for the preparation of thiocarboxylate silane MOMENTIVE PERFORMANCE MAT INC (US) 2016-03-30 EP claimed
EP-1869057-B1 AQUEOUS CATALYTIC PROCESS FOR THE PREPARATION OF THIOCARBOXYLATE SILANE MOMENTIVE PERFORMANCE MAT INC (US) 2012-12-19 EP claimed
EP-1960408-B1 PROCESS FOR THE PRODUCTION OF MERCAPTOALKYLALKOXYSILANES MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-20 EP claimed
US-5726856-A Hexasubstituted guanidinium salts and ultracapacitors employing them as electrolytes GENERAL ELECTRIC COMPANY (US) 1998-03-10 US claimed
US-20150380168-A1 THIN-LAYER CAPACITORS WITH LARGE SCALE INTEGRATION SIEMENS AKTIENGESELLSCHAFT (DE) 2015-12-31 US disclosed
US-7439395-B2 Process for the preparation of guanidinium salts MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20070135645-A1 Process for the preparation of guanidinium salts MERCK PATENT GMBH (DE) 2007-06-14 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 (1 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-20070135645-A1 Process for the preparation of guanidinium salts GMPS, AGPS, PFAS CA12 3861/4885CA1 2824/4885CA9 1318/4885

“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.