SCHEMBL9973371

SCHEMBL9973371

CC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)C1CCC2C(=O)CCC[C@@]21C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ VDR P11473 12/20 0.45
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SREBF1 P36956 1/20 0.42
▸ NR1I2 O75469 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ GC P02774 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL13804815 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL29458285 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL5063778 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL13804829 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL14153825 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL24286115 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL9070760 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL13841866 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL19625105 1.00 CDC25A (0.46) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL14489129 0.90 CDC25A (0.47) CDC25ACDC25BVDRMAPTSMN1; SMN2

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
EP-2768804-B1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RES FOUND (US) 2018-02-28 — — EP disclosed
US-8729054-B2 3-desoxy-2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-05-20 — — US disclosed
US-20130102574-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 — — US disclosed
US-20130102567-A1 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 — — US disclosed
WO-2013059021-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 — — WO disclosed
US-20130102573-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 — — US disclosed
WO-2013059060-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSON ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 — — WO disclosed
US-8410080-B1 2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 — — US disclosed
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-21 — — US disclosed
US-20110082121-A1 1-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-04-07 — — US disclosed
US-7468361-B2 2-ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-12-23 — — US disclosed
US-20080032956-A1 2-Ethyl and 2-Ethylidene-19-Nor-Vitamin D Compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 — — US disclosed
US-7300925-B2 2-ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-11-27 — — US disclosed
US-20070088008-A1 2-Ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-19 — — 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 (7 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-20080032956-A1 2-Ethyl and 2-Ethylidene-19-Nor-Vitamin D Compounds CYP24A1, VDR, CYP2R1 CDC25A 4377/4885CDC25B 3516/4885VDR 2/4885
US-20130102567-A1 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 CDC25A 1177/4885CDC25B 1561/4885VDR 1/4885
US-20130102574-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES CYP24A1, VDR, CYP27B1 CDC25A 988/4885CDC25B 1379/4885VDR 2/4885
US-20070088008-A1 2-Ethyl and 2-ethylidene-19-nor-vitamin D compounds CYP24A1, VDR, CYP2R1 CDC25A 4377/4885CDC25B 3516/4885VDR 2/4885
US-20110082121-A1 1-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 CDC25A 1752/4885CDC25B 2271/4885VDR 1/4885
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses CYP24A1, CYP2R1, CYP27B1 CDC25A 988/4885CDC25B 1197/4885VDR 4/4885
US-20130102573-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES VDR, CYP24A1, CYP2R1 CDC25A 777/4885CDC25B 958/4885VDR 1/4885

“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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