SCHEMBL10041381

SCHEMBL10041381

C[C@H](CCC(C)(C)C)[C@@H](C)C1CCC2C(O)CCC[C@@]21C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.55
▸ CDC25B P30305 2/20 0.55
▸ OSBP P22059 3/20 0.35
▸ OSBP2 Q969R2 3/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GPR183 P32249 3/20 0.34
▸ NPC1L1 Q9UHC9 2/20 0.34
▸ CRYAB P02511 1/20 0.34
▸ HMGCR P04035 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ SREBF2 Q12772 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ VDR P11473 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
SCHEMBL19263947 1.00 CDC25A (0.55) CDC25ACDC25BOSBPOSBP2GPBAR1
SCHEMBL19263951 1.00 CDC25A (0.55) CDC25ACDC25BOSBPOSBP2GPBAR1
SCHEMBL10041418 0.91 CDC25A (0.54) CDC25ACDC25BOSBPOSBP2GRIN1
SCHEMBL10041416 0.91 CDC25A (0.54) CDC25ACDC25BOSBPOSBP2GRIN1
SCHEMBL10041426 0.91 CDC25A (0.54) CDC25ACDC25BOSBPOSBP2GRIN1
SCHEMBL10041412 0.91 CDC25A (0.54) CDC25ACDC25BOSBPOSBP2GRIN1
SCHEMBL19263849 0.91 CDC25A (0.54) CDC25ACDC25BOSBPOSBP2GRIN1
SCHEMBL17340061 0.91 CDC25A (0.54) CDC25ACDC25BOSBPOSBP2GRIN1
SCHEMBL15493923 0.88 CDC25A (0.51) CDC25ACDC25BOSBPOSBP2GPBAR1
SCHEMBL10041380 0.88 CDC25A (0.51) CDC25ACDC25BOSBPOSBP2GPBAR1

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-8664206-B2 Diastereomers of 2-methylene-19-nor-22-methyl-1α,25-dihydroxyvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-03-04 — — US disclosed
US-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-28 — — 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-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 CDC25A 1007/4885CDC25B 965/4885OSBP 1206/4885

“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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