SCHEMBL3391248

SCHEMBL3391248

CCC(CC)(c1ccc(OCC(C)(O)C(C)(C)C)c(OC)c1)c1ccc(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 4/20 0.37
HDAC6 Q9UBN7 3/20 0.37
DAO P14920 1/20 0.36
ALDH1A1 P00352 1/20 0.36
VDR P11473 3/20 0.35
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G4B P0C869 1/20 0.32
POLB P06746 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
SCHEMBL3395376 0.89 HDAC3 (0.47) TSHRHPGDL3MBTL1MAPK1ATM
SCHEMBL3392513 0.88 HDAC3 (0.38) TSHRHPGDL3MBTL1MAPK1ATM
SCHEMBL6261408 0.88 HDAC3 (0.33) TSHRHPGDL3MBTL1MAPK1ATM
SCHEMBL13366672 0.86 VDR (0.40) TSHRHPGDL3MBTL1MAPK1ATM
SCHEMBL3390961 0.86 HDAC3 (0.36) TSHRHPGDL3MBTL1MAPK1ATM
SCHEMBL6264664 0.86 HDAC3 (0.35) TSHRHPGDL3MBTL1MAPK1ATM
SCHEMBL13366815 0.84 HDAC3 (0.34) TSHRHPGDL3MBTL1MAPK1ATM
SCHEMBL3389871 0.78 ESR1 (0.39) HPGDMAPK1HDAC3HDAC6ALDH1A1
SCHEMBL3391577 0.77 VDR (0.46) HDAC3HDAC6VDRKMT2APOLB
SCHEMBL6259415 0.77 HDAC3 (0.34) TSHRHPGDL3MBTL1MAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184281-A1 Phenyl-thiophene type vitamin D receptor modulators Eli Lilly & Company (US) 2010-05-12 EP disclosed
EP-2184281-A1 Phenyl-thiophene type vitamin D receptor modulators Eli Lilly & Company (US) 2010-05-12 EP disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators ELI LILLY AND COMPANY 2006-12-21 US disclosed
US-20060135484-A1 Vesicant treatment with phenyl-thiophene type vitamin d receptor modulators ELI LILLY AND COMPANY PATENT DIVISON (US) 2006-06-22 US disclosed
EP-1587905-A3 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-12-14 EP disclosed
EP-1587905-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1511740-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-09 EP disclosed
WO-2004063348-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 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-20060135484-A1 Vesicant treatment with phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 TSHR 458/4885HPGD 359/4885L3MBTL1 2379/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 TSHR 92/4885HPGD 573/4885L3MBTL1 3747/4885

“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.