SCHEMBL18969816

SCHEMBL18969816

CCCCC(CC)COC(=O)c1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
MAPK1 P28482 3/20 0.61
TSHR P16473 3/20 0.61
CYP3A4 P08684 4/20 0.61
CA2 P00918 1/20 0.61
LMNA P02545 7/20 0.56
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 5/20 0.51
KMT2A Q03164 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
RAB9A P51151 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL108377 0.90 ALDH1A1 (0.73) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL30823218 0.90 ALDH1A1 (0.73) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL32670285 0.90 ALDH1A1 (0.73) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL18969818 0.89 PRSS1 (0.51) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL2585780 0.89 ALDH1A1 (0.80) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL27716219 0.88 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL29049269 0.88 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRCYP3A4CA2
Isophthalic Acid SCHEMBL7186961 0.88 ALDH1A1 (0.67) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL2532026 0.88 ALDH1A1 (0.67) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL24300536 0.87 ALDH1A1 (0.70) ALDH1A1MAPK1TSHRCYP3A4CA2

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-10208185-B2 Ester-based compound, plasticizer composition including the same, preparation method of the composition and resin composition including the plasticizer composition LG CHEM, LTD. (KR) 2019-02-19 US disclosed
US-20170166724-A1 Ester-Based Compound, Plasticizer Composition Including the Same, Preparation Method of the Composition and Resin Composition Including the Plasticizer Composition LG CHEM, LTD. (KR) 2017-06-15 US disclosed
US-20170166724-A1 Ester-Based Compound, Plasticizer Composition Including the Same, Preparation Method of the Composition and Resin Composition Including the Plasticizer Composition LG CHEM, LTD. (KR) 2017-06-15 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-20170166724-A1 Ester-Based Compound, Plasticizer Composition Including the Same, Preparation Method of the Composition and Resin Composition Including the Plasticizer Composition ELL, ELOVL1, ELP1 ALDH1A1 1906/4885MAPK1 1519/4885TSHR 3461/4885
US-10208185-B2 Ester-based compound, plasticizer composition including the same, preparation method of the composition and resin composition including the plasticizer composition ELL, ELOVL1, ELP1 ALDH1A1 1906/4885MAPK1 1519/4885TSHR 3461/4885

“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.