SCHEMBL4742426

SCHEMBL4742426

C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3561644 1.00 THRB (0.32) THRBALDH1A1MAPTHPGDMAPK1
SCHEMBL2687927 1.00 THRB (0.32) THRBALDH1A1MAPTHPGDMAPK1
SCHEMBL12883275 1.00 THRB (0.32) THRBALDH1A1MAPTHPGDMAPK1
SCHEMBL4742434 1.00 THRB (0.32) THRBALDH1A1MAPTHPGDMAPK1
SCHEMBL12247375 0.94 THRB (0.32) THRB
SCHEMBL13804838 0.94 THRB (0.32) THRB
SCHEMBL10041410 0.94 THRB (0.32) THRB
SCHEMBL4170466 0.90 TOP2A (0.32)
SCHEMBL4170469 0.90 TOP2A (0.32)
SCHEMBL10039916 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 US disclosed
US-7915242-B2 eczema, hypercalcemia, hyperparathyroidism, sarcoidosis, or vitamin D intoxication WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-29 US disclosed
US-7704981-B2 2-methylene-1alpha,25-dihydroxy-18,19,21-trinorvitamin D3 and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-04-27 US disclosed
WO-2008089093-A2 EFFICIENT PROCESSES FOR PREPARING STEROIDS AND VITAMIN D DERIVATIVES WITH THE UNNATURAL CONFIGURATION AT C20 (20 ALPHA-METHYL) FROM PREGNENOLONE QUATRX PHARMACEUTICALS COMPANY (US) 2008-07-24 WO disclosed
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 US disclosed
US-20070238705-A1 2-Methylene-1Alpha,25-Dihydroxy-18,19,21-Trinorvitamin D3 and Uses Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-11 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 (2 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-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone CYP2R1, CYP24A1, VDR THRB 818/4885ALDH1A1 1232/4885MAPT 4708/4885
US-20070238705-A1 2-Methylene-1Alpha,25-Dihydroxy-18,19,21-Trinorvitamin D3 and Uses Thereof CYP24A1, CYP27B1, CYP2R1 THRB 362/4885ALDH1A1 701/4885MAPT 4699/4885

“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.