SCHEMBL20087337

SCHEMBL20087337

CCCN(C)C1CCCCC1N(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.40
ADH1C P00326 1/20 0.40
SLC18A3 Q16572 3/20 0.38
SIGMAR1 Q99720 5/20 0.35
OPRK1 P41145 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
HTR1A P08908 1/20 0.33
CYP1A2 P05177 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL24085914 0.95 ADH1A (0.40) ADH1AADH1CSLC18A3SIGMAR1OPRK1
SCHEMBL26620832 0.93 ADH1A (0.36) ADH1AADH1CSLC18A3SIGMAR1OPRK1
SCHEMBL12430499 0.91 SLC18A3 (0.40) ADH1AADH1CSLC18A3SIGMAR1OPRK1
SCHEMBL12430313 0.91 SLC18A3 (0.40) ADH1AADH1CSLC18A3SIGMAR1OPRK1
SCHEMBL17506598 0.86 ADH1A (0.35) ADH1AADH1CSLC18A3SIGMAR1OPRK1
SCHEMBL27010684 0.85 ADH1A (0.32) ADH1AADH1CSLC18A3
SCHEMBL21159067 0.85 SLC18A3 (0.37) ADH1AADH1CSLC18A3SIGMAR1OPRK1
SCHEMBL12510576 0.85 SLC18A3 (0.42) ADH1AADH1CSLC18A3SIGMAR1OPRK1
SCHEMBL20827307 0.84 JAK3 (0.35) ADH1AADH1CSLC18A3SIGMAR1
SCHEMBL23374749 0.81 ADH1A (0.32) ADH1AADH1CSLC18A3

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-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM LG CHEM, LTD. (KR) 2018-04-26 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-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM RIF1, RAD51, TRRAP ADH1A 947/4885ADH1C 1144/4885SLC18A3 4867/4885

“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.