SCHEMBL10246527

SCHEMBL10246527

C=C(C)CN1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
STAT6 P42226 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRD1 P41143 1/20 0.39
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 3/20 0.36
MAOB P27338 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL10248708 1.00 ALDH1A1 (0.45) ALDH1A1HTTGAASMN1; SMN2STAT6
SCHEMBL8732181 0.97
SCHEMBL10248697 0.92
SCHEMBL10246602 0.86
SCHEMBL10246596 0.80 SIGMAR1 (0.47) ALDH1A1SMN1; SMN2STAT6OPRD1TDP1
SCHEMBL10246754 0.78 CXCR4 (0.47) MEN1KMT2ATDP1HRH3
SCHEMBL7221817 0.78 GAA (0.48) ALDH1A1HTTGAASMN1; SMN2STAT6
SCHEMBL7222432 0.78 GAA (0.48) ALDH1A1HTTGAASMN1; SMN2STAT6
SCHEMBL1852780 0.78 ALDH1A1 (0.48) ALDH1A1HTTGAASMN1; SMN2MEN1
SCHEMBL22651891 0.77 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2STAT6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES FRONTIER SCIENTIFIC, INC. (US) 2012-02-16 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-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES BLVRB, BTD, BCL6B ALDH1A1 3325/4885HTT 2262/4885GAA 369/4885

“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.