SCHEMBL9010441

SCHEMBL9010441

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.49
▸ CDC25A P30304 2/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ VDR P11473 9/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL13852396 1.00 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL12464968 1.00 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL13669231 1.00 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL10125598 0.84 CDC25A (0.46) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL814645 0.84 CDC25A (0.46) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL17354893 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL3516877 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL3516879 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL9010563 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL20243735 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377913-B2 Vitamin D receptor activators and methods of making ABBVIE INC. (US) 2013-02-19 — — US disclosed
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 — — US disclosed
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 — — US disclosed
US-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING ABBOTT LABORATORIES (US) 2009-05-21 — — US disclosed
WO-2007038094-A1 19,23,24,25,26,27-HEXANOR-1ALPHA-HYDROXYVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-05 — — WO disclosed
US-20070066566-A1 19,23,24,25,26,27-Hexanor-1alpha-hydroxyvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-03-22 — — 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 (2 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-20070066566-A1 19,23,24,25,26,27-Hexanor-1alpha-hydroxyvitamin D3 CYP24A1, CYP2R1, CYP27B1 CYP19A1 27/4885CDC25A 1079/4885CDC25B 1851/4885
US-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING VDR, CYP2R1, CYP24A1 CYP19A1 40/4885CDC25A 2827/4885CDC25B 3469/4885

“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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