SCHEMBL20438366

SCHEMBL20438366

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
OPRM1 P35372 4/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL472095 0.86 ALDH1A1 (0.43) ALDH1A1OPRM1OPRD1OPRK1KDM4E
Bromide SCHEMBL7202386 0.83 ALDH1A1 (0.42) ALDH1A1OPRM1OPRD1OPRK1KDM4E
Fluoride SCHEMBL23302253 0.83 ALDH1A1 (0.42) ALDH1A1OPRM1OPRD1OPRK1KDM4E
SCHEMBL20438489 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20438365 0.81 LMNA (0.41) ALDH1A1LMNA
SCHEMBL19543354 0.80 CYP1A2 (0.43) ALDH1A1OPRM1OPRD1OPRK1KDM4E
SCHEMBL13759584 0.80 CYP1A2 (0.43) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL3409861 0.78 PLA2G1B (0.39) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL436979 0.78 PLA2G1B (0.39) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL12039787 0.75 OPRM1 (0.37) ALDH1A1OPRM1OPRD1OPRK1CYP1A2

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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 ALDH1A1 1061/4885OPRM1 1710/4885OPRD1 2698/4885

“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.