SCHEMBL3392124

SCHEMBL3392124

CCc1cc(C(CC)(CC)c2cccs2)ccc1OCC(C)(O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
HDAC3 O15379 4/20 0.37
HDAC6 Q9UBN7 3/20 0.37
VDR P11473 9/20 0.36
ESR2 Q92731 1/20 0.36
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 2/20 0.31
TOP2A P11388 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL3396068 0.91 ESR1 (0.40) ESR1HDAC3HDAC6VDRALOX5
SCHEMBL3396362 0.88 VDR (0.47) ESR1HDAC3HDAC6VDRAR
SCHEMBL3389871 0.86 ESR1 (0.39) ESR1HDAC3HDAC6VDRGAA
SCHEMBL3395401 0.82 VDR (0.57) VDRAR
SCHEMBL3392513 0.79 HDAC3 (0.38) ESR1HDAC3HDAC6VDRESR2
SCHEMBL13366751 0.79 ESR1 (0.43) ESR1ESR2CNR1CNR2
SCHEMBL12766170 0.75 HDAC3 (0.35) ESR1HDAC3HDAC6VDRESR2
SCHEMBL3392117 0.75 VDR (0.54) ESR1VDRAR
SCHEMBL27621803 0.75 VDR (0.54) VDRAR
SCHEMBL6259415 0.74 HDAC3 (0.34) ESR1HDAC3HDAC6VDRESR2

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
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
EP-1511740-B1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-07-08 EP 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 ESR1 377/4885HDAC3 3386/4885HDAC6 4529/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ESR1 180/4885HDAC3 2229/4885HDAC6 4626/4885

“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.