SCHEMBL547637

SCHEMBL547637

O=C(O)c1ccccc1CC1CCC(Cc2ccccc2C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.58
FOLH1 Q04609 1/20 0.52
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.47
PPM1D O15297 1/20 0.44
HIF1A Q16665 2/20 0.43
CYP2C9 P11712 2/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA4 P22748 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
SCHEMBL3647579 1.00 GRIK1 (0.58) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL7298560 0.91 PPM1D (0.53) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL15058447 0.85 SCN1A (0.50) GRIK1ALDH1A1CYP2C9CYP2C19MAPK14
SCHEMBL18043819 0.85 CYP2C9 (0.50) GRIK1FOLH1ALDH1A1CYP2C9HTT
SCHEMBL8487408 0.85 GRIK1 (0.49) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL3722748 0.84 GRIK1 (0.46) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL2018862 0.84 GRIK1 (0.51) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL2303340 0.83 KDM4E (0.44) GRIK1ALDH1A1TSHRTP53KDM4E
SCHEMBL2517985 0.82 GRIK1 (0.50) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL2468475 0.82 G6PD (0.49) GRIK1FOLH1ALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358804-B1 PET CONTAINER AND COMPOSITIONS HAVING ENHANCED MECHANICAL PROPERTIES AND GAS BARRIER PROPERTIES COCA COLA CO (US) 2020-02-05 EP disclosed
US-9359488-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties and methods THE COCA-COLA COMPANY (US) 2016-06-07 US disclosed
US-20160068655-A1 INTEGRATED PROCESS FOR THE PRODUCTION OF BENZOATE PLASTICIZERS EASTMAN CHEMICAL COMPANY (US) 2016-03-10 US disclosed
US-20150045482-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties and Methods COCA COLA CO (US) 2015-02-12 US disclosed
US-20140154446-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2014-06-05 US disclosed
US-20120121837-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2012-05-17 US disclosed
US-8110265-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties THE COCA-COLA COMPANY (US) 2012-02-07 US disclosed
EP-2358804-A1 PET CONTAINER AND COMPOSITIONS HAVING ENHANCED MECHANICAL PROPERTIES AND GAS BARRIER PROPERTIES The Coca-Cola Company (US) 2011-08-24 EP disclosed
WO-2010077647-A1 PET CONTAINER AND COMPOSITIONS HAVING ENHANCED MECHANICAL PROPERTIES AND GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2010-07-08 WO disclosed
US-20100143547-A1 Pet Container And Compositions Having Enhanced Mechanical Properties And Gas Barrier Properties COCA-COLA COMPANY (US) 2010-06-10 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 (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-20160068655-A1 INTEGRATED PROCESS FOR THE PRODUCTION OF BENZOATE PLASTICIZERS ADH5, PAOX, ADH1C GRIK1 3685/4885FOLH1 4597/4885ALDH1A1 68/4885

“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.