SCHEMBL13664109

SCHEMBL13664109

Bc1c(C)cc(OCC)c(OCC)c1OCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 1/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ESR1 P03372 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL27780740 0.83 TSHR (0.46) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL28626336 0.81 TSHR (0.44) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL13664122 0.81 TSHR (0.44) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL28058188 0.78 TSHR (0.46) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL13664108 0.78 ALDH1A1 (0.42) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL31360845 0.77 TSHR (0.52) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL12051760 0.74 TSHR (0.46) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL13324326 0.74 KDM4E (0.49) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL10196371 0.73 TSHR (0.53) TSHRALDH1A1LMNAHTTGAA
SCHEMBL12645303 0.72 TSHR (0.41) TSHRALDH1A1LMNAHTTCYP3A4

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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT TSHR 3260/4885ALDH1A1 837/4885KDM4E 1823/4885

“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.