SCHEMBL805654

SCHEMBL805654

COC(=O)[C@H](OC(=O)C[n+]1ccn(C)c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
KLK7 P49862 6/20 0.37
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
RECQL P46063 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
UBE2N P61088 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL805661 1.00 KMT2A (0.39) KMT2AKLK7MEN1ALDH1A1LMNA
SCHEMBL803548 1.00 KMT2A (0.39) KMT2AKLK7MEN1ALDH1A1LMNA
Bromide SCHEMBL187182 0.99 KMT2A (0.38) KMT2AKLK7MEN1ALDH1A1LMNA
Bromide SCHEMBL186276 0.99 KMT2A (0.38) KMT2AKLK7MEN1ALDH1A1LMNA
SCHEMBL803779 0.89 MMP8 (0.38) KMT2AMEN1ALDH1A1LMNARECQL
SCHEMBL803862 0.89 MMP8 (0.38) KMT2AMEN1ALDH1A1LMNARECQL
SCHEMBL803777 0.89 MMP8 (0.38) KMT2AMEN1ALDH1A1LMNARECQL
Bromide SCHEMBL187478 0.88 MMP8 (0.37) KMT2AMEN1ALDH1A1LMNARECQL
SCHEMBL15896810 0.88 ALDH1A1 (0.33) ALDH1A1LMNATDP1RECQLSMN1; SMN2
SCHEMBL15896791 0.88 KLK7 (0.38) KMT2AKLK7MEN1ALDH1A1TDP1

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 KMT2A 3968/4885KLK7 4679/4885MEN1 3011/4885

“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.