SCHEMBL3391545

SCHEMBL3391545

CCC(CC)(c1ccc(CO)c(C)c1)c1cc(C)cs1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.55
ESR2 Q92731 7/20 0.40
AR P10275 4/20 0.40
HDAC3 O15379 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
VDR P11473 7/20 0.33
KLF10 Q13118 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
SCHEMBL3392770 0.85 ESR1 (0.51) ESR1ESR2AR
SCHEMBL13366773 0.85 ESR1 (0.51) ESR1ESR2AR
SCHEMBL3393846 0.83 ESR1 (0.57) ESR1ESR2ARVDR
SCHEMBL3388735 0.82 ESR1 (0.78) ESR1ESR2ARVDR
Bromide SCHEMBL3392768 0.81 ESR1 (0.56) ESR1ESR2ARVDR
SCHEMBL3390973 0.79 ESR1 (0.46) ESR1ARHDAC3HDAC6VDR
SCHEMBL3392394 0.79 ESR1 (0.46) ESR1ESR2ARHDAC3HDAC6
SCHEMBL15076982 0.77 ESR1 (0.51) ESR1ESR2ARHDAC3HDAC6
SCHEMBL13366769 0.75 ESR1 (0.50) ESR1ESR2AR
SCHEMBL3391312 0.74 ESR1 (0.49) ESR1ESR2ARHDAC3HDAC6

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 8 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
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

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 377/4885ESR2 280/4885AR 208/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ESR1 180/4885ESR2 167/4885AR 578/4885

“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.