SCHEMBL5963394

SCHEMBL5963394

CCC=C(CBr)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TRPA1 O75762 1/20 0.46
NPSR1 Q6W5P4 3/20 0.41
GLO1 Q04760 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 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
SCHEMBL5963393 1.00 ALDH1A1 (0.46) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL27645522 0.84 ALDH1A1 (0.39) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL27562550 0.84 ALDH1A1 (0.39) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL5964062 0.84 ALDH1A1 (0.43) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL5964056 0.84 ALDH1A1 (0.43) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL5963299 0.83 ALDH1A1 (0.50) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL5144387 0.83 NPSR1 (0.43) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL5963296 0.83 ALDH1A1 (0.50) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL6077757 0.83 ALDH1A1 (0.50) ALDH1A1TRPA1NPSR1GLO1MEN1
SCHEMBL5144385 0.83 NPSR1 (0.43) ALDH1A1TRPA1NPSR1GLO1MEN1

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
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-1589009-B1 VITAMIN D3 LACTONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2014-10-08 EP disclosed
US-20060148768-A1 Vitamin d3 lactone derivatives TEIJIN LIMITED (JP) 2006-07-06 US disclosed
EP-1589009-A1 VITAMIN D3 LACTONE DERIVATIVE Teijin Pharma Limited (JP) 2005-10-26 EP 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-20060148768-A1 Vitamin d3 lactone derivatives VDR, CYP24A1, CYP2R1 ALDH1A1 2285/4885TRPA1 4699/4885NPSR1 3463/4885

“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.