SCHEMBL2325317

SCHEMBL2325317

CCC(CC)(C(=O)Cl)c1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.54
MRGPRX4 Q96LA9 7/20 0.53
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
FFAR1 O14842 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
VDR P11473 2/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2320679 0.90 FFAR4 (0.56) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL16178255 0.87 FFAR4 (0.54) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL2318476 0.86 FFAR4 (0.53) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL20059953 0.80 FFAR4 (0.53) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL4507201 0.80 VDR (0.60) FFAR4MRGPRX4FFAR1VDR
SCHEMBL2950747 0.79 MRGPRX4 (0.55) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL7783922 0.77 FFAR4 (0.60) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL4501862 0.77 HDAC6 (0.57) FFAR4MRGPRX4VDR
SCHEMBL2972327 0.76 ESR1 (0.59) FFAR4MRGPRX4VDR
SCHEMBL12295554 0.76 MRGPRX4 (0.68) FFAR4MRGPRX4RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836177-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2011-08-10 EP disclosed
US-7659296-B2 2-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-benzooxazole-6-carboxylic acid; 1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-benzooxazole-6-carboxylic acid amide; stimulate bone formation, restore bone quality, acne, alopecia, Alzheimer's disease etc. ELI LILLY AND COMPANY (US) 2010-02-09 US disclosed
US-20080119407-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY 2008-05-22 US disclosed
EP-1836177-A2 VITAMIN D RECEPTOR MODULATORS Eli Lilly and Company (US) 2007-09-26 EP disclosed
WO-2006069154-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 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 (1 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-20080119407-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 FFAR4 94/4885MRGPRX4 89/4885RXRA 35/4885

“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.