SCHEMBL186750

SCHEMBL186750

CCCCOC(=O)C(Cl)c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACHE P22303 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL803545 0.89 SMN1; SMN2 (0.43) MEN1KMT2AGAAMAPTHTT
SCHEMBL187072 0.86 KMT2A (0.49) MEN1KMT2AGAAMAPTHTT
SCHEMBL187073 0.86 KMT2A (0.49) MEN1KMT2AGAAMAPTHTT
SCHEMBL187559 0.82 CYP2C19 (0.52) KMT2APPARGPPARDPPARALMNA
SCHEMBL8346171 0.79 L3MBTL1 (0.40) MEN1KMT2ASMN1; SMN2HIF1AALDH1A1
SCHEMBL254209 0.79 PPARG (0.46) KMT2AMAPTHTTPPARGPPARD
SCHEMBL5720957 0.79 ACHE (0.46) MEN1KMT2AGAAMAPTHTT
SCHEMBL2539074 0.78 ACHE (0.57) MEN1KMT2AGAAPPARGPPARD
SCHEMBL10622251 0.77 ACHE (0.59) KMT2APPARGPPARDPPARASMN1; SMN2
SCHEMBL7294943 0.77 ACHE (0.55) KMT2APPARGPPARDPPARALMNA

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 12 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
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO disclosed
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
WO-2007103996-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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 (2 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 MEN1 3011/4885KMT2A 3968/4885GAA 4076/4885
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 MEN1 3085/4885KMT2A 1070/4885GAA 957/4885

“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.