SCHEMBL18199288

SCHEMBL18199288

CCc1ccc(OCCCCCCNC(=O)OC(C)(C)C)cc1CC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.62
CA1 P00915 7/20 0.62
CA2 P00918 7/20 0.62
CA9 Q16790 7/20 0.62
TDP1 Q9NUW8 1/20 0.50
PDK2 Q15119 1/20 0.47
SUCNR1 Q9BXA5 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
BRD4 O60885 1/20 0.44

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
SCHEMBL16520524 0.91 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL18199289 0.89 CA12 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL18202511 0.84 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL12461819 0.83 CA12 (0.67) CA12CA1CA2CA9TDP1
SCHEMBL30283341 0.83 CA12 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL29269474 0.83 CA12 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL1005270 0.82 CA12 (0.65) CA12CA1CA2CA9TDP1
SCHEMBL19000426 0.82 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL29890066 0.82 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL23901546 0.81 CA12 (0.61) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-11-03 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-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS MUC1, MGMT, ESD CA12 319/4885CA1 624/4885CA2 2098/4885

“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.