SCHEMBL4155848

SCHEMBL4155848

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ VDR P11473 11/20 0.41
▸ MAPT P10636 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ GC P02774 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL4155844 1.00 CDC25A (0.43) CDC25ACDC25BVDRMAPTNR1I2
SCHEMBL10125319 1.00 CDC25A (0.43) CDC25ACDC25BVDRMAPTNR1I2
SCHEMBL4160725 1.00 CDC25A (0.43) CDC25ACDC25BVDRMAPTNR1I2
SCHEMBL4160721 1.00 CDC25A (0.43) CDC25ACDC25BVDRMAPTNR1I2
SCHEMBL4155840 1.00 CDC25A (0.43) CDC25ACDC25BVDRMAPTNR1I2
SCHEMBL13090329 1.00 CDC25A (0.43) CDC25ACDC25BVDRMAPTNR1I2
SCHEMBL8675203 0.87 CDC25A (0.39) CDC25ACDC25BVDR
SCHEMBL5020106 0.87 CDC25A (0.46) CDC25ACDC25BVDRDHCR24CYP19A1
SCHEMBL14208292 0.87 CDC25A (0.46) CDC25ACDC25BVDRDHCR24CYP19A1
SCHEMBL13298437 0.84 VDR (0.48) CDC25ACDC25BVDR

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-8377913-B2 Vitamin D receptor activators and methods of making ABBVIE INC. (US) 2013-02-19 — — US disclosed
US-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING ABBOTT LABORATORIES (US) 2009-05-21 — — 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-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING VDR, CYP2R1, CYP24A1 CDC25A 2827/4885CDC25B 3469/4885VDR 1/4885

“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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