SCHEMBL4401536

SCHEMBL4401536

CCCCCCC(OC(=O)c1cccc(C(=O)O)c1)(C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.46
PTPN11 Q06124 2/20 0.45
LTB4R Q15722 1/20 0.44
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
PLA2G4A P47712 1/20 0.42

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
SCHEMBL3032498 0.89 CYP1A2 (0.47) TP53TSHR
SCHEMBL2919381 0.86 TP53 (0.51) PLA2G4BTP53TSHRKMT2APLA2G4A
SCHEMBL4946472 0.84 PLA2G4B (0.46) PLA2G4BPTPN11LTB4RPLA2G2ATP53
SCHEMBL19856520 0.83 PLA2G4B (0.44) PLA2G4BPTPN11LTB4RPLA2G2ATP53
SCHEMBL966260 0.80 ALDH1A1 (0.60) PTPN11TP53TSHRKMT2A
Octane SCHEMBL28188569 0.79 KDM4E (0.54) PLA2G4BPTPN11LTB4RPLA2G2ATP53
Isophthalic Acid SCHEMBL11324134 0.78 KMT2A (0.58) PLA2G4BPTPN11PLA2G2ATP53TSHR
SCHEMBL5503795 0.77 LMNA (0.61) PLA2G4BTP53TSHR
SCHEMBL9115922 0.77 LMNA (0.61) PLA2G4BTP53TSHR
SCHEMBL2918611 0.77 LMNA (0.61) PLA2G4BTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3103788-B1 PLASTICIZER COMPOSITION, METHOD FOR MANUFACTURING PLASTICIZER COMPOSITION, AND RESIN COMPOSITION COMPRISING PLASTICIZER COMPOSITION LG CHEMICAL LTD (KR) 2020-04-01 EP disclosed
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
EP-3103788-A1 ESTER COMPOUND, PLASTICIZER COMPOSITION COMPRISING SAME, METHOD FOR MANUFACTURING PLASTICIZER COMPOSITION, AND RESIN COMPOSITION COMPRISING PLASTICIZER COMPOSITION LG Chem, Ltd. (KR) 2016-12-14 EP disclosed
US-8598060-B2 Method of regenerating ruthenium catalysts for the ring hydrogenation of phthalates BASF SE (DE) 2013-12-03 US disclosed
US-20090305869-A1 METHOD OF REGENERATING RUTHENIUM CATALYSTS FOR THE RING HYDROGENATION OF PHTHALATES BASF (DE) 2009-12-10 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 PLA2G4B 2080/4885PTPN11 1745/4885LTB4R 260/4885
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 PLA2G4B 2080/4885PTPN11 1745/4885LTB4R 260/4885

“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.