SCHEMBL1608022

SCHEMBL1608022

O=S(=O)([O-])CCCC[N+](CCO)(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
HBB P68871 1/20 0.38
PMP22 Q01453 1/20 0.38
EPHX2 P34913 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ENPEP Q07075 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL21855428 0.93 BBOX1 (0.52) BBOX1SMN1; SMN2GMNNALDH1A1LMNA
SCHEMBL22616415 0.84 BBOX1 (0.48) BBOX1SMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL11879870 0.84 SLC22A1 (0.48) SMN1; SMN2ALDH1A1TP53TSHRALOX15
SCHEMBL9785032 0.83 SLC22A1 (0.46) BBOX1SMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL742185 0.80 APP (0.41) LMNAEPHX2DNM1
SCHEMBL29206222 0.80 BBOX1 (0.40) BBOX1SMN1; SMN2GMNNALDH1A1LMNA
SCHEMBL19677620 0.79 BBOX1 (0.57) BBOX1SMN1; SMN2GMNNALDH1A1LMNA
Tetrahexylammonium SCHEMBL31179798 0.78 SLC22A1 (0.56) BBOX1SMN1; SMN2ALDH1A1TP53TSHR
Tetrahexylammonium SCHEMBL31179777 0.78 SLC22A1 (0.56) BBOX1SMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL31179759 0.78 SLC22A1 (0.56) BBOX1SMN1; SMN2ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430195-B1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA INC (US) 2019-01-23 EP disclosed
US-20140065627-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2014-03-06 US disclosed
US-8519125-B2 Compositions and methods for biological sample storage BIOMATRICA, INC. (US) 2013-08-27 US disclosed
US-20110081363-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2011-04-07 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 (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-20110081363-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE DNASE1, DIS3, NEFM BBOX1 1347/4885SMN1; SMN2 351/4885GMNN 2039/4885

“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.