SCHEMBL9010625

SCHEMBL9010625

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

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 8/20 0.80
▸ CDC25B P30305 6/20 0.80
▸ GPBAR1 Q8TDU6 7/20 0.46
▸ NR1H4 Q96RI1 5/20 0.46
▸ NPC1L1 Q9UHC9 1/20 0.44

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
SCHEMBL14446939 0.96 CDC25A (0.78) CDC25ACDC25BGPBAR1NR1H4NPC1L1
SCHEMBL9010584 0.91 CDC25A (0.74) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL12153482 0.89 CDC25A (1.00) CDC25ACDC25BNPC1L1
SCHEMBL9558404 0.89 CDC25A (1.00) CDC25ACDC25BNPC1L1
SCHEMBL9121941 0.89 CDC25A (1.00) CDC25ACDC25BNPC1L1
SCHEMBL9883787 0.87 CDC25A (0.78) CDC25ACDC25BGPBAR1NR1H4NPC1L1
SCHEMBL13777440 0.87 CDC25A (0.82) CDC25ACDC25BGPBAR1NR1H4NPC1L1
SCHEMBL14261167 0.87 CDC25A (0.78) CDC25ACDC25BGPBAR1NR1H4NPC1L1
SCHEMBL12190432 0.87 CDC25A (0.78) CDC25ACDC25BGPBAR1NR1H4NPC1L1
SCHEMBL9010519 0.86 CDC25A (0.76) CDC25ACDC25BGPBAR1NR1H4NPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440647-B2 2α-methyl and 2β-methyl analogs of 19,26,27-trinor-(20S)-1α-hydroxyvitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-05-14 — — US disclosed
US-8440647-B2 2α-methyl and 2β-methyl analogs of 19,26,27-trinor-(20S)-1α-hydroxyvitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-05-14 — — US disclosed
US-20130018021-A1 2Alpha-Methyl and 2Beta-Methyl Analogs of 19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-17 — — US disclosed
US-20130018021-A1 2Alpha-Methyl and 2Beta-Methyl Analogs of 19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-17 — — US disclosed
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 — — US disclosed
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 — — US disclosed
US-7713952-B2 2-methylene-19,26,27-trinor-(20S)-1α-hydroxyvitamin D3 and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-11 — — US disclosed
US-20070270391-A1 2Alpha-Methyl and 2Beta-Methyl Analogs of 19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION, A NON-STOCK, NON-PROFIT WISCONSIN CORPORATION (US) 2007-11-22 — — US disclosed
US-20070249567-A1 2-Methylene-19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Its Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-25 — — US disclosed
US-20070249567-A1 2-Methylene-19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Its Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-25 — — US disclosed
US-7244719-B2 2-methylene-19,26,27-trinor-(20S)-1α-hydroxyvitamin D3 and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-17 — — US disclosed
US-7241749-B2 2α-Methyl and 2β-methyl analogs of 19,26,27-trinor-(20S)-1α-hydroxyvitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-10 — — 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 (3 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-20070270391-A1 2Alpha-Methyl and 2Beta-Methyl Analogs of 19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Their Uses CYP24A1, CYP27B1, CD14 CDC25A 399/4885CDC25B 520/4885GPBAR1 2257/4885
US-20130018021-A1 2Alpha-Methyl and 2Beta-Methyl Analogs of 19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Their Uses CYP24A1, CYP27B1, CD14 CDC25A 399/4885CDC25B 520/4885GPBAR1 2257/4885
US-20070249567-A1 2-Methylene-19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Its Uses CYP27B1, CYP24A1, VDR CDC25A 980/4885CDC25B 1218/4885GPBAR1 2349/4885

“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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