SCHEMBL3421889

SCHEMBL3421889

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.64
HDAC6 Q9UBN7 7/20 0.54
VDR P11473 8/20 0.39
HDAC1 Q13547 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
RXRB P28702 1/20 0.36
AR P10275 4/20 0.35
GRIN2C Q14957 1/20 0.35

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
SCHEMBL3393099 0.89 HDAC3 (0.66) HDAC3HDAC6VDRHDAC1AR
SCHEMBL3424308 0.87 HDAC3 (0.60) HDAC3HDAC6VDRHDAC1
SCHEMBL16183054 0.86 HDAC3 (0.65) HDAC3HDAC6VDRHDAC1AR
SCHEMBL3394963 0.84 HDAC3 (0.61) HDAC3HDAC6VDRHDAC1
SCHEMBL13366655 0.84 HDAC3 (0.61) HDAC3HDAC6VDRHDAC1NR1H4
SCHEMBL13675118 0.84 HDAC3 (0.63) HDAC3HDAC6VDRAR
SCHEMBL3395685 0.84 HDAC3 (0.63) HDAC3HDAC6VDRAR
SCHEMBL13366700 0.83 HDAC3 (0.81) HDAC3HDAC6VDRHDAC1AR
SCHEMBL3421448 0.82 HDAC3 (0.48) HDAC3HDAC6VDRNR1H4RXRB
SCHEMBL13672892 0.82 HDAC3 (0.58) HDAC3HDAC6VDRHDAC1AR

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 HDAC3 3386/4885HDAC6 4529/4885VDR 1/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HDAC3 2229/4885HDAC6 4626/4885VDR 1/4885

“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.