SCHEMBL21160683

SCHEMBL21160683

CCCOC1(CCC)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL24993020 0.83 TSHR (0.33) TSHR
SCHEMBL28292849 0.81
SCHEMBL27480154 0.81 TSHR (0.32) TSHR
SCHEMBL5390045 0.80 CYP4F2 (0.34)
SCHEMBL7907353 0.78 ADH1A (0.30)
SCHEMBL9751900 0.78 ADH1A (0.30)
SCHEMBL6335764 0.78 ADH1A (0.30)
SCHEMBL27289579 0.78
SCHEMBL29598878 0.77 FFAR3 (0.35) TSHR
SCHEMBL12389948 0.75

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530226-B2 Azepane inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
US-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-01-11 US disclosed
US-20200339594-A1 Azepane Inhibitors Of Menin-MLL Interaction JANSSEN PHARMACEUTICA NV (BE) 2020-10-29 US disclosed
US-20200172556-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2019-07-11 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 (5 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-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction BMI1, MLLT1, MEN1 TSHR 4515/4885
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, MEN1 TSHR 4435/4885
US-20200172556-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION MLLT1, BMI1, MEN1 TSHR 4479/4885
US-11530226-B2 Azepane inhibitors of menin-MLL interaction MEN1, MLLT1, BMI1 TSHR 4559/4885
US-20200339594-A1 Azepane Inhibitors Of Menin-MLL Interaction MEN1, MLLT1, BMI1 TSHR 4559/4885

“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.