SCHEMBL187927

SCHEMBL187927

CCCCOC(=O)[C@H](C(OCc1ccccc1)=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)n1cc[n+](C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTRC Q99895 1/20 0.32
POLB P06746 1/20 0.31
MBOAT4 Q96T53 1/20 0.30
HPGD P15428 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
SCHEMBL186932 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL206522 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL187058 0.97 CYP3A4 (0.36) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL186892 0.97 CYP3A4 (0.36) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL786118 0.97 CYP3A4 (0.36) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL186158 0.91 LMNA (0.35) ALDH1A1TSHRL3MBTL1
SCHEMBL187471 0.91 LMNA (0.35) ALDH1A1TSHRL3MBTL1
SCHEMBL786727 0.91 LMNA (0.35) ALDH1A1TSHRL3MBTL1
SCHEMBL186960 0.88 MEN1 (0.35) ALDH1A1TSHRPOLBMBOAT4
SCHEMBL786127 0.88 MEN1 (0.35) ALDH1A1TSHRPOLBMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US claimed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US claimed
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP claimed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO claimed

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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 ALDH1A1 834/4885CYP3A4 452/4885TSHR 4680/4885

“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.