SCHEMBL1487907

SCHEMBL1487907

O=C(O)c1cc(OCC(F)(F)F)c(C(=O)O)cc1OCC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 6/20 0.50
RXRA P19793 1/20 0.49
HNF4A P41235 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
THRB P10828 1/20 0.47
G6PD P11413 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45

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
SCHEMBL1965983 0.88 ALDH1A1 (0.53) KDM4EALDH1A1RXRAHNF4ACYP1A2
SCHEMBL978291 0.86 KDM4E (0.71) KDM4EALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL20107595 0.85 KDM4E (0.50) KDM4EALDH1A1RXRAHNF4ACYP1A2
Hydrochloric Acid SCHEMBL10754121 0.85 KDM4E (0.69) KDM4EALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL20107681 0.85 KDM4E (0.47) KDM4EALDH1A1RXRAHNF4ACYP1A2
SCHEMBL5612784 0.83 KDM4E (0.55) KDM4EALDH1A1RXRAHNF4ACYP1A2
SCHEMBL20521864 0.83 KDM4E (0.51) KDM4EALDH1A1RXRAHNF4ACYP1A2
SCHEMBL7345021 0.83 KDM4E (0.48) KDM4EALDH1A1RXRAHNF4ACYP1A2
SCHEMBL1496822 0.83 RXRA (0.55) KDM4EALDH1A1RXRAHNF4ACYP1A2
SCHEMBL3784235 0.83 KDM4E (0.63) KDM4EALDH1A1RXRAHNF4ACYP1A2

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
US-8779186-B2 Process for the synthesis of fluorinated ethers of aromatic acids E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-15 US disclosed
US-20110065892-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 US disclosed
US-20110060117-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 US disclosed
US-20110060161-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 US disclosed
US-20110060118-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 US disclosed
US-20110060116-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 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 (5 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-20110060116-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS EWSR1, PFAS, ALK KDM4E 33/4885ALDH1A1 4504/4885RXRA 69/4885
US-20110060118-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS EWSR1, ALK, TYR KDM4E 147/4885ALDH1A1 2421/4885RXRA 77/4885
US-20110065892-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS EWSR1, FGR, TYR KDM4E 159/4885ALDH1A1 3816/4885RXRA 140/4885
US-20110060117-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS EWSR1, FGR, TYR KDM4E 144/4885ALDH1A1 3270/4885RXRA 91/4885
US-20110060161-A1 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS ALK, EWSR1, FGR KDM4E 69/4885ALDH1A1 2583/4885RXRA 215/4885

“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.