SCHEMBL5020106

SCHEMBL5020106

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ DHCR24 Q15392 6/20 0.43
▸ VDR P11473 9/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL14208292 1.00 CDC25A (0.46) CDC25ACDC25BDHCR24VDRCYP19A1
SCHEMBL4155840 0.87 CDC25A (0.43) CDC25ACDC25BDHCR24VDRCYP19A1
SCHEMBL4155848 0.87 CDC25A (0.43) CDC25ACDC25BDHCR24VDRCYP19A1
SCHEMBL4155844 0.87 CDC25A (0.43) CDC25ACDC25BDHCR24VDRCYP19A1
SCHEMBL4160721 0.87 CDC25A (0.43) CDC25ACDC25BDHCR24VDRCYP19A1
SCHEMBL13090329 0.87 CDC25A (0.43) CDC25ACDC25BDHCR24VDRCYP19A1
SCHEMBL10125319 0.87 CDC25A (0.43) CDC25ACDC25BDHCR24VDRCYP19A1
SCHEMBL4160725 0.87 CDC25A (0.43) CDC25ACDC25BDHCR24VDRCYP19A1
SCHEMBL9925372 0.84 CDC25A (0.44) CDC25ACDC25BVDRCYP19A1
SCHEMBL18193607 0.84 CDC25A (0.44) CDC25ACDC25BVDRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479764-B2 2-methylene-(22E)-25-hexanoyl-24-oxo-26,27-cyclo-22-dehydro-19-nor-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-11-19 — — US disclosed
US-9834512-B2 (22E)-2-methylene-26,27-cyclo-22-dehydro-1α-hydroxy-19-norvitamin D3 derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-12-05 — — US disclosed
US-9834512-B2 (22E)-2-methylene-26,27-cyclo-22-dehydro-1α-hydroxy-19-norvitamin D3 derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-12-05 — — US disclosed
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 — — US disclosed
US-8754067-B2 22-haloacetoxy-homopregnacalciferol analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-17 — — US disclosed
US-8754067-B2 22-haloacetoxy-homopregnacalciferol analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-17 — — US disclosed
US-20130005686-A1 2-Methylene-(22E)-25-Hexanoyl-24-OXO-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 — — US disclosed
US-20130005686-A1 2-Methylene-(22E)-25-Hexanoyl-24-OXO-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 — — US disclosed
US-20120309719-A1 (22E)-2-METHYLENE-26,27-CYCLO-22-DEHYDRO-1ALPHA-HYDROXY-19-NORVITAMIN D3 DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-12-06 — — US disclosed
WO-2012166938-A2 (22E)-2-METHYLENE-26,27-CYCLO-22-DEHYDRO-1ALPHA-HYDROXY-19-NORVITAMIN D3 DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-06 — — WO disclosed
US-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-14 — — US disclosed
WO-2012065050-A1 22-HALOACETOXY-HOMOPREGNACALCIFEROL ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-18 — — WO disclosed
US-7915242-B2 eczema, hypercalcemia, hyperparathyroidism, sarcoidosis, or vitamin D intoxication WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-29 — — US disclosed
US-7915242-B2 eczema, hypercalcemia, hyperparathyroidism, sarcoidosis, or vitamin D intoxication WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-29 — — 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 (4 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-10479764-B2 2-methylene-(22E)-25-hexanoyl-24-oxo-26,27-cyclo-22-dehydro-19-nor-vitamin D analogs VDR, CYP24A1, CYP27B1 CDC25A 2459/4885CDC25B 2313/4885DHCR24 19/4885
US-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses CYP27B1, CYP27A1, MCL1 CDC25A 3126/4885CDC25B 2923/4885DHCR24 9/4885
US-20130005686-A1 2-Methylene-(22E)-25-Hexanoyl-24-OXO-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs VDR, CYP24A1, CYP27B1 CDC25A 2459/4885CDC25B 2313/4885DHCR24 19/4885
US-20120309719-A1 (22E)-2-METHYLENE-26,27-CYCLO-22-DEHYDRO-1ALPHA-HYDROXY-19-NORVITAMIN D3 DERIVATIVES CYP24A1, CYP2R1, CYP27B1 CDC25A 1851/4885CDC25B 1280/4885DHCR24 16/4885

“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.

Send feedback