SCHEMBL13201697

SCHEMBL13201697

CCOC(=O)C(CCOC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
TDP1 Q9NUW8 4/20 0.59
MAPK1 P28482 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL15131475 0.84 LMNA (0.58) LMNATDP1MAPK1TSHRMEN1
SCHEMBL28862777 0.81 TDP1 (0.52) LMNATDP1MAPK1L3MBTL1TSHR
SCHEMBL9712672 0.81 LMNA (0.62) LMNATDP1MAPK1TSHRMEN1
Ethyl Benzoate SCHEMBL2762273 0.80 LMNA (0.70) LMNATDP1MAPK1TSHRMEN1
Ethyl Benzoate SCHEMBL55674 0.80 LMNA (0.70) LMNATDP1MAPK1TSHRMEN1
Ethyl Benzoate SCHEMBL25388294 0.80 LMNA (0.70) LMNATDP1MAPK1TSHRMEN1
SCHEMBL19991162 0.80 LMNA (0.66) LMNATDP1MAPK1TSHRKMT2A
Ethyl Benzoate SCHEMBL9720392 0.80 LMNA (0.89) LMNATDP1MAPK1TSHRMEN1
SCHEMBL223683 0.80 LMNA (0.65) LMNATDP1MAPK1TSHRKMT2A
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL132524 0.80 LMNA (0.65) LMNATDP1MAPK1TSHRKMT2A

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
EP-1768708-B1 N4 CHELATOR CONJUGATES GE HEALTHCARE LTD (GB) 2017-05-17 EP disclosed
US-20130189186-A1 APOPTOSIS IMAGING AGENTS BASED ON LANTIBIOTIC PEPTIDES GE HEALTHCARE LIMITED (GB) 2013-07-25 US disclosed
US-7767796-B2 N4 chelator conjugates GE HEALTHCARE LIMITED (GB) 2010-08-03 US disclosed
US-20080131368-A1 N4 Chelator Conjugates GE HEALTHCARE LIMITED (GB) 2008-06-05 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 (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-20130189186-A1 APOPTOSIS IMAGING AGENTS BASED ON LANTIBIOTIC PEPTIDES BID, BAD, PEBP1 LMNA 796/4885TDP1 3153/4885MAPK1 2468/4885
US-20080131368-A1 N4 Chelator Conjugates TTK, PIGK, HUNK LMNA 3431/4885TDP1 3151/4885MAPK1 4848/4885

“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.