SCHEMBL187389

SCHEMBL187389

CC=CCCCC=COc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.35
TSHR P16473 1/20 0.34
KCNA3 P22001 1/20 0.34
MAPT P10636 1/20 0.33
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
CA4 P22748 1/20 0.32
HTR1B P28222 1/20 0.32
AOC3 Q16853 1/20 0.32
TOP1 P11387 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11742595 0.84 EPHX2 (0.39) LTA4HTSHRKCNA3MAPTLMNA
SCHEMBL28710286 0.80 LTA4H (0.47) LTA4HLMNAHTT
SCHEMBL31106429 0.80 LTA4H (0.47) LTA4HLMNAHTT
SCHEMBL8601466 0.80 LTA4H (0.47) LTA4HLMNAHTT
SCHEMBL11301704 0.79 TAAR1 (0.41) LTA4HTSHRKCNA3AOC3
SCHEMBL29653962 0.79 LTA4H (0.46) LTA4HLMNAHTT
SCHEMBL13918233 0.77 KCNA3 (0.58) LTA4HKCNA3HTR1B
SCHEMBL13639157 0.76 KCNA3 (0.61) LTA4HKCNA3HTR1B
SCHEMBL30071999 0.76 CA4 (0.38) LTA4HTSHRKCNA3CA4HTR1B
SCHEMBL5898125 0.75 CA4 (0.43) LTA4HTSHRKCNA3NR1H2BAX

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 7 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 disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP disclosed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO disclosed
EP-2223915-A1 Ionic liquid solvents Dublin City University (IE) 2010-09-01 EP disclosed
EP-1165477-A1 METHOD FOR PRODUCING ALKAPOLYENYL COMPOUNDS USING CERTAIN COCATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2000059854-A1 METHOD FOR PRODUCING ALKAPOLYENYL COMPOUNDS USING CERTAIN COCATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 LTA4H 238/4885TSHR 4680/4885KCNA3 4119/4885

“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.