SCHEMBL629917

SCHEMBL629917

COC(=O)CCO[Si](C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 3/20 0.40
CA12 O43570 3/20 0.40
CA14 Q9ULX7 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
RECQL P46063 1/20 0.35
GLA P06280 1/20 0.35
SLC1A1 P43005 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL629778 0.86 TSHR (0.58) TSHRKMT2AMEN1LMNACA12
SCHEMBL16294179 0.83 TSHR (0.54) TSHRKMT2ALMNAALDH1A1RECQL
SCHEMBL18038087 0.83 TSHR (0.54) TSHRKMT2ALMNAALDH1A1RECQL
SCHEMBL16294270 0.83 TSHR (0.54) TSHRKMT2ALMNAALDH1A1RECQL
SCHEMBL550563 0.79
SCHEMBL20168030 0.79 TSHR (0.46) TSHRKMT2AMEN1LMNACA12
SCHEMBL12201169 0.78 TSHR (0.32) TSHRKDM4E
SCHEMBL6648347 0.77
SCHEMBL10012988 0.77 TSHR (0.48) TSHRKMT2AMEN1LMNACA12
SCHEMBL29254507 0.74 LMNA (0.43) LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327354-A1 Unnatural Analogues of Calcitriol and Uses Thereof VIDASYM, LLC 2018-11-15 US disclosed
EP-2419403-B1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF VIDASYM INC (US) 2016-09-07 EP disclosed
CN-102482210-B Vitamin D receptor agonists and uses thereof VIDASYM LLC 2015-04-08 CN disclosed
CN-102482210-A Vitamin d receptor agonists and uses thereof VIDASYM LLC 2012-05-30 CN disclosed
US-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VIDASYM, LLC (US) 2012-05-10 US disclosed
EP-2419403-A1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF Vidasym, Llc (US) 2012-02-22 EP disclosed
WO-2010120698-A1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF VIDASYM, LLC (US) 2010-10-21 WO 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-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VDR, CYP2R1, CYP24A1 TSHR 25/4885KMT2A 4484/4885MEN1 2539/4885
US-20180327354-A1 Unnatural Analogues of Calcitriol and Uses Thereof VDR, CYP2R1, CYP24A1 TSHR 74/4885KMT2A 4632/4885MEN1 2211/4885

“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.