SCHEMBL786573

SCHEMBL786573

COC(=O)[C@@H](C(=O)OCc1ccccc1)[n+]1ccn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
ALOX15 P16050 1/20 0.38
KYNU Q16719 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IL1RN P18510 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL785287 1.00 ALDH1A1 (0.41) ALDH1A1TRPM8ALOX15KYNUL3MBTL1
SCHEMBL785954 0.90 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2AHTR2CMAPK1
SCHEMBL786530 0.88 ALDH1A1 (0.42) ALDH1A1KMT2ATDP1NPC1RAB9A
SCHEMBL786334 0.86 L3MBTL1 (0.49) ALDH1A1ALOX15L3MBTL1KMT2AMAPK1
SCHEMBL785233 0.86 L3MBTL1 (0.49) ALDH1A1ALOX15L3MBTL1KMT2AMAPK1
SCHEMBL786332 0.85 MEN1 (0.40) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL185896 0.84 RECQL (0.36) ALDH1A1L3MBTL1KMT2AMAPK1TDP1
SCHEMBL786055 0.83 ALDH1A1 (0.35) ALDH1A1L3MBTL1KMT2AHTR2CMAPK1
SCHEMBL186468 0.76 RECQL (0.37) ALDH1A1L3MBTL1MAPK1TDP1HPGD
SCHEMBL186444 0.76 TSHR (0.40) ALDH1A1L3MBTL1MAPK1TDP1ACHE

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-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

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 834/4885TRPM8 4092/4885ALOX15 69/4885

“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.