SCHEMBL13531895

SCHEMBL13531895

COC(OC)[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.43
▸ CDC25A P30304 2/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ VDR P11473 9/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL8228382 1.00 CYP19A1 (0.43) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL20243735 0.85 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL12464968 0.82 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL9010441 0.82 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL13852396 0.82 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL13669231 0.82 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL18193607 0.79 CDC25A (0.44) CYP19A1CDC25ACDC25BVDR
SCHEMBL9925372 0.79 CDC25A (0.44) CYP19A1CDC25ACDC25BVDR
SCHEMBL13641549 0.77 CDC25A (0.53) CDC25ACDC25BVDRMEN1PGR
SCHEMBL4787102 0.77 CDC25A (0.46) CYP19A1CDC25ACDC25BVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES MCGILL UNIVERSITY (CA) 2010-01-21 — — US disclosed
US-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES MCGILL UNIVERSITY (CA) 2010-01-21 — — 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-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES VDR, HDAC3, HDAC4 CYP19A1 574/4885CDC25A 4255/4885CDC25B 4583/4885

“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.

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