SCHEMBL186928

SCHEMBL186928

CCCCOC(=O)[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.51
ESR1 P03372 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL186927 1.00 APP (0.51) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL9314019 0.91 APP (0.49) APPSMN1; SMN2HPGDTSHRMAPK1
SCHEMBL9314014 0.91 APP (0.49) APPSMN1; SMN2HPGDTSHRMAPK1
SCHEMBL3840737 0.88 ESR1 (0.46) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL3835905 0.84 ESR1 (0.46) APPESR1SMN1; SMN2NPC1RAB9A
SCHEMBL5283420 0.84 CA12 (0.53) SMN1; SMN2HPGDTSHRMAPK1LMNA
SCHEMBL5283426 0.84 CA12 (0.53) SMN1; SMN2HPGDTSHRMAPK1LMNA
SCHEMBL4448685 0.81 APP (0.48) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL17766244 0.80 SMN1; SMN2 (0.47) ESR1SMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL187072 0.79 KMT2A (0.49) SMN1; SMN2L3MBTL1TSHRLMNACYP1A2

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-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

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.