SCHEMBL14112723

SCHEMBL14112723

CC[C@H](C)[C@H]1CC[C@H]2[C@H](CC(=O)O)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 11/20 0.79
CDC25B P30305 1/20 0.48
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRA4 P48169 1/20 0.44
CDC45 O75419 2/20 0.41
PTPRC P08575 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
PTPN1 P18031 1/20 0.39
EPHA2 P29317 1/20 0.38
NR1H3 Q13133 1/20 0.38
CDC25C P30307 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL14112744 0.83 CDC25A (0.57) CDC25ACDC25BGABRA1GABRB1GABRG2
SCHEMBL3134072 0.76 CDC25A (0.78) CDC25ACDC25BGABRA1GABRB1GABRG2
SCHEMBL13521601 0.76 CDC25A (0.78) CDC25ACDC25BGABRA1GABRB1GABRG2
SCHEMBL13630375 0.76 CDC25A (0.78) CDC25ACDC25BGABRA1GABRB1GABRG2
SCHEMBL3134063 0.76 CDC25A (0.78) CDC25ACDC25BGABRA1GABRB1GABRG2
SCHEMBL14112726 0.70 CDC25A (0.73) CDC25ACDC25BCDC45PTPRCNR1H4
SCHEMBL8765059 0.69 CDC25A (0.50) CDC25A
SCHEMBL8765054 0.69 CDC25A (0.50) CDC25A
SCHEMBL13521609 0.69 CDC25A (0.76) CDC25ACDC25BCDC45PTPRC
SCHEMBL8764164 0.67 CDC25A (0.46) CDC25A

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
WO-2008089093-A2 EFFICIENT PROCESSES FOR PREPARING STEROIDS AND VITAMIN D DERIVATIVES WITH THE UNNATURAL CONFIGURATION AT C20 (20 ALPHA-METHYL) FROM PREGNENOLONE QUATRX PHARMACEUTICALS COMPANY (US) 2008-07-24 WO disclosed
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 US disclosed
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 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-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone CYP2R1, CYP24A1, VDR CDC25A 1501/4885CDC25B 1749/4885GABRA1 464/4885

“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.