SCHEMBL15865604

SCHEMBL15865604

CC(C)CCN(CCC(C)C)CCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.31
MAPT P10636 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
SCHEMBL472095 0.85 ALDH1A1 (0.43) CA12CA2CA9OPRM1OPRD1
Fluoride SCHEMBL23302253 0.82 ALDH1A1 (0.42) CA12CA2CA9OPRM1OPRD1
Bromide SCHEMBL7202386 0.82 ALDH1A1 (0.42) CA12CA2CA9OPRM1OPRD1
SCHEMBL141055 0.82
SCHEMBL13759584 0.79 CYP1A2 (0.43) CA12CA2CA9OPRM1OPRD1
Ammonia Solution, Strong SCHEMBL11294399 0.79
SCHEMBL19543354 0.79 CYP1A2 (0.43) CA12CA2CA9OPRM1OPRD1
Hydrochloric Acid SCHEMBL27351384 0.79
SCHEMBL8382836 0.79 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL15444951 0.78 CA12 (0.57) CA12CA2CA3CA4CA6

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-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 CA12 49/4885CA2 166/4885CA3 839/4885

“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.