SCHEMBL20031996

SCHEMBL20031996

CCCCCC(CCCC)n1ccnn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.35
OPRM1 P35372 1/20 0.34
TLR8 Q9NR97 2/20 0.33
DNM1 Q05193 1/20 0.31
TBXAS1 P24557 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
SCHEMBL19226278 0.96 CYP19A1 (0.35) CYP19A1OPRM1TBXAS1
SCHEMBL23771912 0.96 CYP19A1 (0.35) CYP19A1OPRM1TBXAS1
SCHEMBL20729403 0.96 CYP19A1 (0.35) CYP19A1OPRM1TBXAS1
SCHEMBL19302676 0.96 CYP19A1 (0.35) CYP19A1OPRM1TBXAS1
SCHEMBL28275409 0.91 CYP19A1 (0.34) CYP19A1OPRM1TLR8TBXAS1
SCHEMBL11867610 0.83 CYP19A1 (0.36) CYP19A1OPRM1TLR8
Bromide SCHEMBL29191437 0.82 OPRM1 (0.36) CYP19A1OPRM1TBXAS1
SCHEMBL11194903 0.81 OPRM1 (0.39) CYP19A1OPRM1TLR8TBXAS1
SCHEMBL20397465 0.80 CYP19A1 (0.34) CYP19A1OPRM1TLR8TBXAS1
SCHEMBL24862793 0.79 CYP19A1 (0.36) CYP19A1OPRM1TLR8

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-20180094017-A1 OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE CONSTRUCT USING THE SAME, AND METHODS FOR PRODUCING THEM GIFU UNIVERSITY (JP) 2018-04-05 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-20180094017-A1 OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE CONSTRUCT USING THE SAME, AND METHODS FOR PRODUCING THEM APOB, TTPA, AOX1 CYP19A1 2665/4885OPRM1 4155/4885TLR8 885/4885

“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.