SCHEMBL13907700

SCHEMBL13907700

CCCc1ccc(OCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
CA12 O43570 5/20 0.63
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
CA9 Q16790 5/20 0.63
KMT2A Q03164 3/20 0.57
NPC1 O15118 1/20 0.57
MEN1 O00255 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
PDK2 Q15119 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ACACB O00763 1/20 0.48
SUCNR1 Q9BXA5 1/20 0.48
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
IDO1 P14902 1/20 0.46

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
SCHEMBL17366464 0.91 CA12 (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL19003451 0.89 ACACB (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL15391900 0.89 CA12 (0.63) ALDH1A1CA12CA1CA2CA9
SCHEMBL17974332 0.89 CA12 (0.66) ALDH1A1CA12CA1CA2CA9
SCHEMBL8474870 0.87 CA12 (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL17974334 0.86 CA12 (0.66) ALDH1A1CA12CA1CA2CA9
SCHEMBL21430480 0.86 CA1 (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL1541945 0.85 CA1 (0.64) ALDH1A1CA12CA1CA2CA9
SCHEMBL13185193 0.85 CA12 (0.67) ALDH1A1CA12CA1CA2CA9
SCHEMBL18226889 0.85 CA12 (0.68) ALDH1A1CA12CA1CA2CA9

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-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-03-05 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 (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-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B ALDH1A1 1151/4885CA12 1314/4885CA1 589/4885

“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.