SCHEMBL26923904

SCHEMBL26923904

C#CCOCCCN(C(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL21069813 0.82 TSHR (0.41) TSHR
SCHEMBL21997018 0.78 TSHR (0.55) TSHR
SCHEMBL22609537 0.75 TSHR (0.51) TSHR
SCHEMBL26923969 0.71 TSHR (0.50) TSHR
SCHEMBL26925905 0.70 TSHR (0.48) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL29239063 0.70 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL1758802 0.69 EPHX2 (0.45) TSHRMMP2MMP8
SCHEMBL5319536 0.69 TSHR (0.45) TSHR
SCHEMBL21070081 0.69 TSHR (0.47) TSHR
SCHEMBL5322932 0.67 MEN1 (0.36) TSHR

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-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 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-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885MMP2 1393/4885MMP9 899/4885

“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.