SCHEMBL23023009

SCHEMBL23023009

Oc1cccc(CNCCC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
OPRM1 P35372 8/20 0.51
OPRD1 P41143 8/20 0.51
OPRK1 P41145 8/20 0.51
CXCR4 P61073 1/20 0.50
SLC2A4 P14672 1/20 0.48
TLR8 Q9NR97 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 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
SCHEMBL23023197 0.85 CXCR4 (0.54) SIGMAR1CXCR4
SCHEMBL23022836 0.85 CXCR4 (0.54) SIGMAR1CXCR4
SCHEMBL23004820 0.82 CXCR4 (0.54) SIGMAR1CXCR4
SCHEMBL23023005 0.82 SIGMAR1 (0.54) SIGMAR1CXCR4
SCHEMBL23023007 0.82 CXCR4 (0.54) SIGMAR1CXCR4
SCHEMBL23023006 0.82 SIGMAR1 (0.54) SIGMAR1CXCR4
SCHEMBL23022989 0.82 SIGMAR1 (0.54) SIGMAR1CXCR4
SCHEMBL23023184 0.82 CHRM2 (0.58) SIGMAR1CXCR4CYP1A2CYP3A4
SCHEMBL23023029 0.81 SIGMAR1 (0.77) SIGMAR1
SCHEMBL23023177 0.81 SIGMAR1 (0.77) SIGMAR1

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-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 SIGMAR1 2321/4885OPRM1 3187/4885OPRD1 3356/4885

“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.