SCHEMBL805649

SCHEMBL805649

CCCCCOC(=O)C(OC(=O)C[n+]1ccn(C)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL15897085 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL15897200 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL15896807 0.97 TSHR (0.37) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL15896800 0.97 TSHR (0.37) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL15896790 0.97 TSHR (0.37) NPC1RAB9ASMN1; SMN2LMNATSHR
Bromide SCHEMBL187505 0.96 TSHR (0.36) NPC1RAB9ASMN1; SMN2LMNATSHR
Bromide SCHEMBL186788 0.96 TSHR (0.36) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL803779 0.89 MMP8 (0.38) NPC1SMN1; SMN2LMNATSHRCYP3A4
SCHEMBL803777 0.89 MMP8 (0.38) NPC1SMN1; SMN2LMNATSHRCYP3A4
SCHEMBL803862 0.89 MMP8 (0.38) NPC1SMN1; SMN2LMNATSHRCYP3A4

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 3 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
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 NPC1 1252/4885RAB9A 4843/4885SMN1; 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.