SCHEMBL5545130

SCHEMBL5545130

C[C@@H](O)[C@H]1CCC2/C(=C/Br)CCC[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.48
CDC25B P30305 1/20 0.48
NR1I2 O75469 2/20 0.46
PGR P06401 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.43
ADRA1A P35348 2/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.43
USP2 O75604 1/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
HSPD1 P10809 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL5545132 1.00 CDC25A (0.48) CDC25ACDC25BNR1I2PGRMEN1
SCHEMBL2677980 1.00 CDC25A (0.48) CDC25ACDC25BNR1I2PGRMEN1
SCHEMBL2678083 1.00 CDC25A (0.48) CDC25ACDC25BNR1I2PGRMEN1
SCHEMBL2678085 1.00 CDC25A (0.48) CDC25ACDC25BNR1I2PGRMEN1
SCHEMBL2677974 1.00 CDC25A (0.48) CDC25ACDC25BNR1I2PGRMEN1
SCHEMBL14114449 1.00 CDC25A (0.48) CDC25ACDC25BNR1I2PGRMEN1
SCHEMBL25313329 0.85 CDC25A (0.54) CDC25ACDC25BPGRMEN1KMT2A
SCHEMBL25313334 0.85 CDC25A (0.54) CDC25ACDC25BPGRMEN1KMT2A
SCHEMBL2676891 0.83 CDC25A (0.46) CDC25ACDC25BNR1I2PGRMEN1
SCHEMBL2676892 0.83 CDC25A (0.46) CDC25ACDC25BNR1I2PGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173824-B2 Process for producing vitamin D derivative using convergent method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-05-08 US disclosed
US-8173824-B2 Process for producing vitamin D derivative using convergent method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-05-08 US disclosed
US-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-26 US disclosed
US-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-26 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-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CYP2R1, CYP24A1, VDR CDC25A 2748/4885CDC25B 3940/4885NR1I2 3758/4885

“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.