SCHEMBL803598

SCHEMBL803598

CCCCOC(=O)C(c1ccc(O)c(O)c1)n1cc[n+](C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.41
ESR1 P03372 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL15896802 0.86 MAPT (0.40) SMN1; SMN2LMNACYP2C19
SCHEMBL803623 0.84 NPC1 (0.33) ESR1SMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL804136 0.83 CA12 (0.36) APPSMN1; SMN2TSHRMAPK1LMNA
SCHEMBL803822 0.83 HPGD (0.42) SMN1; SMN2HPGDRAB9ATSHR
SCHEMBL186928 0.73 APP (0.51) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL186927 0.73 APP (0.51) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL803791 0.73 APP (0.41) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL786335 0.70 L3MBTL1 (0.49) SMN1; SMN2L3MBTL1TSHRMAPK1LMNA
SCHEMBL786456 0.70 L3MBTL1 (0.49) SMN1; SMN2L3MBTL1TSHRMAPK1LMNA
SCHEMBL785234 0.70 L3MBTL1 (0.49) SMN1; SMN2L3MBTL1TSHRMAPK1LMNA

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 disclosed
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
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 APP 3776/4885ESR1 3333/4885SMN1; SMN2 2787/4885

“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.