SCHEMBL2969233

SCHEMBL2969233

CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)OC)s1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.66
HDAC3 O15379 5/20 0.66
HDAC1 Q13547 1/20 0.60
VDR P11473 8/20 0.57
AR P10275 4/20 0.57

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
SCHEMBL13786217 0.90 HDAC6 (0.54) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13366806 0.90 HDAC6 (0.66) HDAC6HDAC3HDAC1VDRAR
SCHEMBL3388755 0.90 HDAC6 (0.66) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13786026 0.90 HDAC6 (0.66) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13786220 0.89 HDAC6 (0.53) HDAC6HDAC3HDAC1VDRAR
SCHEMBL3392096 0.89 HDAC6 (0.65) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13786354 0.89 HDAC6 (0.65) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13786019 0.88 HDAC6 (0.59) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13366707 0.88 HDAC6 (0.61) HDAC6HDAC3HDAC1VDRAR
SCHEMBL3391004 0.87 HDAC6 (0.62) HDAC6HDAC3HDAC1VDRAR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 US disclosed
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-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-7566803-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-07-28 US disclosed
EP-1511740-B1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-07-08 EP 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
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-05-04 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-1565422-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-24 EP disclosed
WO-2005051893-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO 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-2004048309-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 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 (3 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-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 HDAC6 4639/4885HDAC3 2546/4885HDAC1 3029/4885
US-20060135484-A1 Vesicant treatment with phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HDAC6 4529/4885HDAC3 3386/4885HDAC1 4086/4885
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HDAC6 4452/4885HDAC3 2892/4885HDAC1 3752/4885

“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.