SCHEMBL15045293

SCHEMBL15045293

CC1CCC[C@@]2(C)C1CCC2[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.46
LMNA P02545 1/20 0.46
CDC25A P30304 4/20 0.43
CDC25B P30305 2/20 0.43
UGT2B7 P16662 4/20 0.41
ATP1A1 P05023 2/20 0.40
ATP1B1 P05026 2/20 0.40
ATP1A3 P13637 2/20 0.40
ATP1B2 P14415 2/20 0.40
ATP1A2 P50993 2/20 0.40
ATP1B3 P54709 2/20 0.40
FXYD2 P54710 2/20 0.40
ATP1A4 Q13733 2/20 0.40
CYP17A1 P05093 4/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4166573 0.82 CDC25A (0.61) GPBAR1LMNACDC25ACDC25BUGT2B7
SCHEMBL10041408 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B
SCHEMBL12247380 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B
SCHEMBL9010559 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B
SCHEMBL9010577 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B
SCHEMBL13759529 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B
SCHEMBL12190424 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B
SCHEMBL9010666 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B
SCHEMBL13325622 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B
SCHEMBL13759528 0.81 CDC25A (0.50) GPBAR1LMNACDC25ACDC25B

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-9775903-B2 1-deoxy analogs of 1,25-dihydroxyvitamin D3 compounds JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
US-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS JOHNS HOPKINS UNIVERSITY (US) 2013-06-20 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-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS CYP24A1, CYP2R1, CYP27B1 GPBAR1 1146/4885LMNA 2415/4885CDC25A 231/4885

“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.