SCHEMBL3851228

SCHEMBL3851228

CCC(c1cc2cc(C(=O)OC)ccc2o1)C(C)c1ccc(OCC(=O)C(C)(C)C)c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
VDR P11473 8/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
AR P10275 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL3851365 0.91 VDR (0.34) SMN1; SMN2VDRHPGDL3MBTL1ALDH1A1
SCHEMBL3850267 0.91 VDR (0.42) SMN1; SMN2MAPK1TP53POLBTHRB
SCHEMBL3855825 0.91 MAPK1 (0.36) SMN1; SMN2MAPK1TP53POLBTHRB
SCHEMBL5970911 0.83 SMN1; SMN2 (0.34) SMN1; SMN2MAPK1TP53POLBTHRB
SCHEMBL3855860 0.82 SRD5A2 (0.39) TP53VDRALDH1A1HIF1ATDP1
SCHEMBL3859963 0.82 VDR (0.43) VDRAR
SCHEMBL5970908 0.82 SMN1; SMN2 (0.36) SMN1; SMN2MAPK1TP53POLBTHRB
SCHEMBL3851229 0.80 TP53 (0.35) SMN1; SMN2MAPK1TP53POLBTHRB
SCHEMBL3851230 0.79 VDR (0.45) VDRAR
SCHEMBL1780642 0.78 VDR (0.45) VDRAR

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 SMN1; SMN2 4860/4885MAPK1 2378/4885TP53 2858/4885

“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.