SCHEMBL13553287

SCHEMBL13553287

CCC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.39
HSD11B2 P80365 1/20 0.34
EPHX2 P34913 1/20 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
SCHEMBL5521859 0.86 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL16200776 0.83
SCHEMBL18845355 0.78 HSD11B1 (0.42) HSD11B1HSD11B2EPHX2
SCHEMBL12824509 0.78 HSD11B1 (0.43) HSD11B1HSD11B2EPHX2
SCHEMBL14527522 0.77 HSD11B1 (0.42) HSD11B1HSD11B2EPHX2
SCHEMBL13430021 0.76 HSD11B1 (0.43) HSD11B1HSD11B2EPHX2
SCHEMBL12128673 0.74 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL132553 0.73 GRM1 (0.42) EPHX2
SCHEMBL14732672 0.72 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL12240741 0.72 HSD11B1 (0.33) HSD11B1

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-20120271021-A1 POLYMERIZABLE COMPOUND AND POLYMER COMPOUND OBTAINED BY USING THE SAME FUJIFILM CORPORATION (JP) 2012-10-25 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-20120271021-A1 POLYMERIZABLE COMPOUND AND POLYMER COMPOUND OBTAINED BY USING THE SAME CA11, CNOT1, CA1 HSD11B1 3071/4885HSD11B2 4055/4885EPHX2 1148/4885

“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.