SCHEMBL5156872

SCHEMBL5156872

CCC1(C(=O)Oc2c(C(C)(C)C)cc(C)cc2C(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
VCAM1 P19320 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
SCHEMBL19770698 0.81 ALDH1A1 (0.41) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL17824836 0.77 ALDH1A1 (0.37) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6912228 0.73 VCAM1 (0.49) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL8407409 0.72 ALDH1A1 (0.48) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL30048240 0.72 VCAM1 (0.49) VCAM1
SCHEMBL2968414 0.71 CA1 (0.42) ALDH1A1CA2VCAM1
SCHEMBL8094382 0.69 ALDH1A1 (0.45) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3999963 0.69 ATM (0.48) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL295477 0.69 ALDH1A1 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL17430868 0.69 ESR1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP disclosed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US disclosed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 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-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists VDR, CYP2R1, CYP24A1 CYP3A4 476/4885CYP2D6 450/4885ALDH1A1 1929/4885

“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.