SCHEMBL8424652

SCHEMBL8424652

CCCC(=O)OCOC(=O)CC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
NAAA Q02083 1/20 0.48
DGKA P23743 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
DNM1 Q05193 1/20 0.39
FFAR3 O14843 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
PAM P19021 2/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 2/20 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
SCHEMBL2618716 0.92 ALDH1A1 (0.63) ALDH1A1DGKACES2CES1DNM1
Bis(Butyryloxymethyl) Succinate SCHEMBL18747588 0.89 ALDH1A1 (0.60) ALDH1A1DGKACES2CES1DNM1
Ethyl Propionate SCHEMBL28240255 0.87 ALDH1A1 (0.59) ALDH1A1NAAADGKACES2CES1
SCHEMBL181440 0.87 ALDH1A1 (0.59) ALDH1A1NAAADGKACES2CES1
SCHEMBL681192 0.86 NAAA (0.52) ALDH1A1NAAAFFAR3CYP1A2HPGD
SCHEMBL7645974 0.84 ALDH1A1 (0.55) ALDH1A1DGKACES2CES1DNM1
SCHEMBL3831118 0.84 DGKA (0.54) ALDH1A1NAAADGKADNM1PAM
Methane SCHEMBL6300031 0.83 NAAA (0.50) ALDH1A1NAAADGKAFFAR3CYP1A2
SCHEMBL3839547 0.82 ALDH1A1 (0.52) ALDH1A1DGKACES2CES1FFAR3
SCHEMBL3831128 0.82 DGKA (0.64) ALDH1A1DGKADNM1PAMCYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469728-B2 Temperature and pH-sensitive block copolymer having excellent safty in vivo and hydrogel and drug delivery system using thereof SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE (KR) 2016-10-18 US disclosed
US-7902268-B2 Water soluble energy curable stereo-crosslinkable ionomer compositions SUN CHEMICAL CORPORATION (US) 2011-03-08 US disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-7300992-B2 Vinyl polymers and processes for producing the same KANEKA CORPORATION (JP) 2007-11-27 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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 (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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885NAAA 516/4885DGKA 3864/4885

“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.