SCHEMBL6628330

SCHEMBL6628330

FC(F)(F)c1ccccc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.71
RXRB P28702 4/20 0.71
RXRG P48443 4/20 0.71
MRGPRX4 Q96LA9 4/20 0.66
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PPARG P37231 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
SGMS2 Q8NHU3 1/20 0.50
LIPE Q05469 1/20 0.49
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRB P23467 1/20 0.46
PTPN6 P29350 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
SCHEMBL20756090 0.85 RXRA (0.54) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL30822044 0.84 RXRA (0.55) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL15613732 0.83 MRGPRX4 (0.68) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL31306509 0.82 RXRA (0.56) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL16231695 0.82 MRGPRX4 (0.55) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL9446223 0.81 RXRA (0.71) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL2892314 0.81 MAPT (0.58) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL22480756 0.81 MRGPRX4 (1.00) RXRARXRBRXRGMRGPRX4
SCHEMBL3726426 0.80 PTGER1 (0.54) RXRARXRBRXRGMRGPRX4
SCHEMBL5388117 0.80 RXRA (0.60) RXRARXRBRXRGMRGPRX4PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4594440-A Solvent extraction RHONE:PULENC, INC. (FR) 1986-06-10 US claimed
US-4405805-A ACIFLUORFEN, XYLENE EXTRACTION RHONE-POULENC, INC. (US) 1983-09-20 US claimed
EP-0004447-B1 PREPARATION OF TRIFLUOROMETHYLPHENOLS AND NOVEL TRIFLUOROMETHYLPHENYL BENZYL ETHER INTERMEDIATES ELI LILLY AND COMPANY (US) 1981-12-02 EP claimed
EP-0004447-A2 Preparation of trifluoromethylphenols and novel trifluoromethylphenyl benzyl ether intermediates ELI LILLY AND COMPANY (US) 1979-10-03 EP claimed
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
WO-2015031650-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE CHAKRAVARTY SARVAJIT (US) 2015-03-05 WO disclosed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO disclosed
EP-0004447-B1 PREPARATION OF TRIFLUOROMETHYLPHENOLS AND NOVEL TRIFLUOROMETHYLPHENYL BENZYL ETHER INTERMEDIATES ELI LILLY AND COMPANY (US) 1981-12-02 EP disclosed
EP-0004447-A2 Preparation of trifluoromethylphenols and novel trifluoromethylphenyl benzyl ether intermediates ELI LILLY AND COMPANY (US) 1979-10-03 EP disclosed
EP-0004447-A2 Preparation of trifluoromethylphenols and novel trifluoromethylphenyl benzyl ether intermediates ELI LILLY AND COMPANY (US) 1979-10-03 EP disclosed
EP-0004447-A2 Preparation of trifluoromethylphenols and novel trifluoromethylphenyl benzyl ether intermediates ELI LILLY AND COMPANY (US) 1979-10-03 EP disclosed
US-4168388-A Trifluoromethylphenyl benzyl ethers ELI LILLY AND COMPANY (US) 1979-09-18 US disclosed
US-4168388-A Trifluoromethylphenyl benzyl ethers ELI LILLY AND COMPANY (US) 1979-09-18 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-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRAS, VHL, ESRRB RXRA 121/4885RXRB 86/4885RXRG 82/4885
US-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 RXRA 288/4885RXRB 211/4885RXRG 256/4885

“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.