SCHEMBL6504730

SCHEMBL6504730

CC(=O)C12CC3CC(C1)OC(=O)C(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 3/20 0.32
EPHX2 P34913 1/20 0.32
NAAA Q02083 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 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
SCHEMBL6497191 0.86
SCHEMBL12963923 0.86 ALDH1A1 (0.33) ALDH1A1POLBHSD11B1EPHX2L3MBTL1
SCHEMBL6496506 0.84 HSD11B1 (0.34) ALDH1A1POLBHSD11B1L3MBTL1TSHR
SCHEMBL13416097 0.80 CYP17A1 (0.40) ALDH1A1HSD11B1EPHX2NAAAGAA
SCHEMBL13416096 0.79 ALDH1A1 (0.38) ALDH1A1POLBHSD11B1CA2GAA
SCHEMBL6495033 0.78 EPHX2 (0.50) ALDH1A1POLBHSD11B1EPHX2L3MBTL1
SCHEMBL16656615 0.76
SCHEMBL12963916 0.76 GAA (0.32) ALDH1A1NAAAGAAMAPTXBP1
SCHEMBL13834238 0.75 EPHX2 (0.49) ALDH1A1EPHX2TSHRGAAMAPT
SCHEMBL17236485 0.75 NAAA (0.43) NAAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949615-B2 Monomer having electron-withdrawing group and process for preparing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-27 US disclosed
EP-1331216-A1 MONOMERS HAVING ELECTRON-WITHDRAWING GROUPS AND PROCESSES FOR PREPARING THE SAME Daicel Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
US-20030059710-A1 Monomer having electron-withdrawing group and process for preparing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-27 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-20030059710-A1 Monomer having electron-withdrawing group and process for preparing the same RFC3, RFC2, MAPRE1 ALDH1A1 1973/4885POLB 680/4885HSD11B1 2310/4885

“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.