SCHEMBL26698693

SCHEMBL26698693

CCOC(=O)[C@]1(C)CC[C@H](OS(C)(=O)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.35
BRD4 O60885 1/20 0.33
PRMT1 Q99873 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 2/20 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
SCHEMBL17500452 0.84 BRD4 (0.35) VDRBRD4CYP3A4CYP2D6CYP2C9
SCHEMBL16749004 0.82 F10 (0.33) VDRBRD4CYP3A4CYP2D6CYP2C9
SCHEMBL17784003 0.82 NPSR1 (0.38) VDRCYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL28352903 0.82 HTT (0.33) VDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13878962 0.80 BRD4 (0.36) BRD4PRMT1ALDH1A1SMN1; SMN2CES2
SCHEMBL663885 0.80 BRD4 (0.38) BRD4PRMT1ALDH1A1SMN1; SMN2CES2
SCHEMBL12549788 0.80 BRD4 (0.38) BRD4PRMT1ALDH1A1SMN1; SMN2CES2
SCHEMBL516378 0.80 BRD4 (0.38) BRD4PRMT1ALDH1A1SMN1; SMN2CES2
SCHEMBL23453503 0.78 CYP2D6 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL17869205 0.78 FFAR3 (0.46) VDRCYP2C19SMN1; SMN2NPSR1

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-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 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-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 VDR 731/4885BRD4 2893/4885PRMT1 518/4885

“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.