SCHEMBL28072

SCHEMBL28072

CCOC(=O)/C(Br)=C/CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
GLO1 Q04760 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
S1PR4 O95977 1/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIK1 P39086 1/20 0.33
CYP2C9 P11712 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
GAA P10253 2/20 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
SCHEMBL5963131 1.00 NPSR1 (0.38) NPSR1GLO1MEN1LMNAKMT2A
SCHEMBL28582961 0.82 CYP2D6 (0.45) NPSR1GLO1MEN1LMNAKMT2A
SCHEMBL12553979 0.81 NPSR1 (0.38) NPSR1GLO1MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL31026910 0.81 CYP2D6 (0.44) NPSR1GLO1MEN1LMNAKMT2A
SCHEMBL1408810 0.80 NPSR1 (0.50) NPSR1GLO1MEN1LMNAKMT2A
SCHEMBL3470193 0.79 NPSR1 (0.43) NPSR1GLO1MEN1LMNAKMT2A
SCHEMBL16152829 0.78 GRIK1 (0.41) NPSR1GLO1MEN1LMNAKMT2A
SCHEMBL13524364 0.78 NPSR1 (0.42) NPSR1GLO1MEN1LMNAKMT2A
SCHEMBL409983 0.76 NPSR1 (0.41) NPSR1GLO1MEN1LMNAKMT2A
SCHEMBL409984 0.76 NPSR1 (0.41) NPSR1GLO1MEN1LMNAKMT2A

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
EP-1589009-B1 VITAMIN D3 LACTONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2014-10-08 EP disclosed
WO-2012025861-A1 PROCESS FOR THE PREPARATION OF ( S ) - 3 - CYANO - 5 - METHYLHEXANOIC ACID DERIVATIVES ADN OF PREGABALIN PFIZER MANUFACTURING IRELAND (IE) 2012-03-01 WO 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 NPSR1 3463/4885GLO1 1322/4885MEN1 105/4885

“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.