SCHEMBL7035443

SCHEMBL7035443

CCCCCCN(CCCCCC)C(N(CCCCCC)CCCCCC)=[N+](CCCCCC)CCCCCC.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 2/20 0.41
MGLL Q99685 1/20 0.38
DNM1 Q05193 3/20 0.35
ALDH1A1 P00352 2/20 0.32
ZDHHC20 Q5W0Z9 2/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
GBA1 P04062 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH2 P05091 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL7792536 0.92 CA12 (0.47) CA12CA1CA9CA2MGLL
SCHEMBL7061519 0.90 CA12 (0.43) CA12CA1CA9CA2MGLL
SCHEMBL7027230 0.89 CA12 (0.38) CA12CA1CA9CA2ALDH1A1
Hydrochloric Acid SCHEMBL14862018 0.85 CA12 (0.44) CA12CA1CA9CA2MGLL
SCHEMBL11894237 0.81 CA12 (0.44) CA12CA1CA9CA2MGLL
SCHEMBL11894185 0.81 CA12 (0.44) CA12CA1CA9CA2MGLL
SCHEMBL1713038 0.80 CA12 (0.41) CA12CA1CA9CA2MGLL
Hydrochloric Acid SCHEMBL1535756 0.78 CA12 (0.40) CA12CA1CA9CA2MGLL
Iodide SCHEMBL7030478 0.78 CA12 (0.40) CA12CA1CA9CA2MGLL
Bromide SCHEMBL6155069 0.78 CA12 (0.40) CA12CA1CA9CA2MGLL

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.