SCHEMBL7035338

SCHEMBL7035338

CCCCN(CCCC)C(N(CCCC)CCCC)=[N+](C)C.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
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
SCHEMBL11894028 0.92 CA12 (0.47) CA12CA1CA9CA2ALDH1A1
SCHEMBL11894185 0.92 CA12 (0.44) CA12CA1CA9CA2ALDH1A1
SCHEMBL11894237 0.92 CA12 (0.44) CA12CA1CA9CA2ALDH1A1
SCHEMBL20527595 0.91 CA12 (0.44) CA12CA1CA9CA2ALDH1A1
SCHEMBL20527532 0.82 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL20527611 0.82 CA12 (0.48) CA12CA1CA9CA2ALDH1A1
SCHEMBL667939 0.82 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL1713412 0.80 CA12 (0.40) CA12CA1CA9CA2ALDH1A1
Hydrochloric Acid SCHEMBL11894281 0.80 CA12 (0.48) CA12CA1CA9CA2ALDH1A1
Hydrochloric Acid SCHEMBL11894016 0.80 CA12 (0.48) CA12CA1CA9CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030163000-A1 Halogen exchange reactions and catalysts therefor CHORDIP LTD. (GB) 2003-08-28 US disclosed
EP-1288196-A1 Process for the preparation of organo guanidinium salts Chordip Ltd. (GB) 2003-03-05 EP 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-20030163000-A1 Halogen exchange reactions and catalysts therefor WEE2, WEE1, SLC39A11 CA12 1147/4885CA1 1391/4885CA9 2034/4885

“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.