SCHEMBL3851369

SCHEMBL3851369

CC(C)c1cc(C(C)CCCc2cc3cc(C(=O)O)ccc3o2)ccc1OCC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TP53 P04637 1/20 0.32
VDR P11473 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 1/20 0.31
DPP4 P27487 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL3851229 0.92 TP53 (0.35) HDAC6TP53VDRHPGDSMN1; SMN2
SCHEMBL3859965 0.91 VDR (0.40) TBXAS1TP53VDR
SCHEMBL3855863 0.90 SRD5A2 (0.39) TBXAS1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL5971392 0.87 TBXAS1 (0.33) TBXAS1HDAC6VDRHPGDSMN1; SMN2
SCHEMBL3858805 0.84 VDR (0.40) GRIN2DGRIN2AGRIN2BGRIN2CVDR
SCHEMBL3850271 0.82 VDR (0.39) HDAC6TP53VDRSMN1; SMN2
SCHEMBL3855827 0.82 TP53 (0.35) HDAC6TP53VDRSMN1; SMN2F2
SCHEMBL5970911 0.79 SMN1; SMN2 (0.34) HDAC6TP53VDRHPGDSMN1; SMN2
SCHEMBL3851365 0.79 VDR (0.34) VDRHPGDSMN1; SMN2L3MBTL1KMT2A
SCHEMBL5971540 0.78 VDR (0.40) HDAC6VDRHPGDSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1687289-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051938-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 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 (1 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 TBXAS1 284/4885GRIN2D 4115/4885GRIN2A 4508/4885

“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.