SCHEMBL5590593

SCHEMBL5590593

Cc1cc[n+](C(C)C)cc1.F[B-](F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5590665 0.80 LMNA (0.39) LMNAHTTSMN1; SMN2
SCHEMBL5589123 0.79
SCHEMBL5308509 0.78 ACHE (0.39) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Iodide SCHEMBL1750930 0.76 HTT (0.38) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5590564 0.75 HTT (0.39) HTT
SCHEMBL5590617 0.74 HTT (0.46) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL5590600 0.71 HTT (0.56) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL5590123 0.70 HTT (0.64) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL5590812 0.69 HTT (0.67) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL5589820 0.69 HTT (0.67) KDM4ELMNAHTTSMN1; SMN2

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-8084617-B2 Ionic liquids having fluoroalkyltrifluoroborate anions MERCK PATENT GMBH (DE) 2011-12-27 US disclosed
US-20070213538-A1 Ionic Liquids Having Fluoroalkyltrifluoroborate Anions MERCK PATENT GMBH (DE) 2007-09-13 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-20070213538-A1 Ionic Liquids Having Fluoroalkyltrifluoroborate Anions AFF1, AFF2, AFF4 KDM4E 2115/4885ALDH1A1 1258/4885LMNA 998/4885

“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.