SCHEMBL13078633

SCHEMBL13078633

CCCCNCCN(CCCC)CCNCCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PAOX Q6QHF9 1/20 0.31
KDM5A P29375 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
SCHEMBL13078638 0.93 TSHR (0.38) TSHRALDH1A1
SCHEMBL8345906 0.86 TSHR (0.50) TSHRALDH1A1PAOXKDM5A
SCHEMBL8009387 0.86 TSHR (0.50) TSHRALDH1A1PAOXKDM5A
SCHEMBL6142226 0.84 TSHR (0.48) TSHRALDH1A1PAOXKDM5A
SCHEMBL864676 0.84 TSHR (0.52) TSHRALDH1A1PAOX
Hydrochloric Acid SCHEMBL4308486 0.82 TSHR (0.50) TSHRALDH1A1PAOX
SCHEMBL1086951 0.82 TSHR (0.48) TSHRALDH1A1PAOXKDM5A
SCHEMBL9301514 0.82 TSHR (0.55) TSHRALDH1A1PAOXKDM5A
SCHEMBL18244864 0.82 TSHR (0.55) TSHRALDH1A1PAOX
SCHEMBL11749668 0.80 TSHR (0.52) TSHRALDH1A1PAOXKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285570-A1 FLUORIDE PROCESSING METHOD JACKSON ALEXANDER 2010-11-11 US disclosed
US-20100178242-A1 LABELLING METHODS GE HEALTHCARE LIMITED (GB) 2010-07-15 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 (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-20100285570-A1 FLUORIDE PROCESSING METHOD SLCO1B1, CTSF, MEN1 TSHR 968/4885ALDH1A1 1788/4885PAOX 3258/4885
US-20100178242-A1 LABELLING METHODS FURIN, FGF23, FGF2 TSHR 245/4885ALDH1A1 2015/4885PAOX 3264/4885

“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.