SCHEMBL26322346

SCHEMBL26322346

C#CC[C@H](C[C@H](C)C=C)OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 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
SCHEMBL26322340 0.83 GRIK1 (0.33) TSHRUSP2
SCHEMBL26322459 0.79
SCHEMBL26323184 0.73 CTSK (0.43)
SCHEMBL26322350 0.73 CTSK (0.43)
SCHEMBL12122789 0.72 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL26322458 0.70
SCHEMBL26322455 0.70
SCHEMBL8377632 0.69
SCHEMBL30241893 0.67 TSHR (0.40) TSHRUSP2CHRM2CHRM4CHRM1
SCHEMBL5701797 0.66 GRIK1 (0.34)

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-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 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-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 TSHR 1070/4885USP2 4250/4885CHRM2 3966/4885

“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.