SCHEMBL19347405

SCHEMBL19347405

NCCCNC(=O)c1ccccc1B(O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 4/20 0.48
NAAA Q02083 1/20 0.47
HCRTR1 O43613 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL19347407 0.90 TSHR (0.49) HTTTSHRHPGDHCRTR1KDM4E
SCHEMBL23169262 0.84 TSHR (0.68) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL13164043 0.81 HPGD (0.68) HTTTSHRHPGDKDM4ESMN1; SMN2
SCHEMBL30843288 0.80 HTT (0.65) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL1754800 0.79 TSHR (0.67) HTTTSHRHPGDNAAAKDM4E
SCHEMBL28850411 0.79 HTT (0.54) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL23992489 0.79 HTT (0.59) HTTTSHRHPGDKDM4EHSD17B10
SCHEMBL4744541 0.77 TSHR (0.43) HTTTSHRHPGDHCRTR1SMN1; SMN2
SCHEMBL18285118 0.74 ALOX5 (0.78) HTTTSHRHPGDNAAAHSD17B10
SCHEMBL8515238 0.74 ALDH1A1 (0.57) HTTTSHRHPGDKDM4EHSD17B10

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
US-10765110-B2 Agent for preserving biological component Tabata, Yasuhiko (JP) 2020-09-08 US disclosed
US-20170311586-A1 AGENT FOR PRESERVING BIOLOGICAL COMPONENT, AND METHOD FOR RECOVERING BIOLOGICAL COMPONENT Tabata, Yasuhiko (JP) 2017-11-02 US disclosed
EP-3219787-A1 AGENT FOR PRESERVING BIOLOGICAL COMPONENT, AND METHOD FOR RECOVERING BIOLOGICAL COMPONENT Denka Company Limited (JP) 2017-09-20 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 (2 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-20170311586-A1 AGENT FOR PRESERVING BIOLOGICAL COMPONENT, AND METHOD FOR RECOVERING BIOLOGICAL COMPONENT CD44, HPSE, PLOD3 HTT 325/4885TSHR 2712/4885HPGD 464/4885
US-10765110-B2 Agent for preserving biological component CD44, MUC1, PLOD3 HTT 438/4885TSHR 2814/4885HPGD 413/4885

“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.