SCHEMBL629778

SCHEMBL629778

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL16294270 0.92 TSHR (0.54) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL16294179 0.92 TSHR (0.54) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL18038087 0.92 TSHR (0.54) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL629917 0.86 TSHR (0.55) TSHRLMNAALDH1A1GLAMAPT
SCHEMBL7760006 0.81 TSHR (0.34) TSHR
SCHEMBL10364704 0.81 TSHR (0.56) TSHRLMNAALDH1A1GLAMAPT
SCHEMBL11635954 0.80 TSHR (0.50) TSHRLMNAALDH1A1GLAMAPT
SCHEMBL6653907 0.79 MAPT (0.33) MAPTKMT2A
SCHEMBL2161119 0.79 TSHR (0.48) TSHRLMNAALDH1A1GLAMAPT
SCHEMBL4300352 0.79 ALDH1A1 (0.53) TSHRLMNAALDH1A1HSD17B10

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 5 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
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 25/4885LMNA 3613/4885ALDH1A1 4407/4885
US-20180327354-A1 Unnatural Analogues of Calcitriol and Uses Thereof VDR, CYP2R1, CYP24A1 TSHR 74/4885LMNA 3373/4885ALDH1A1 4544/4885

“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.