SCHEMBL795694

SCHEMBL795694

COCc1ccc(-c2ccc(CCl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
PTGS2 P35354 1/20 0.41
IDO1 P14902 4/20 0.39
AGXT P21549 4/20 0.39
MAOB P27338 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 0.35
FAAH O00519 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
TTR P02766 1/20 0.33

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
SCHEMBL2411686 0.93 AGXT (0.38) ERN1PTGS2IDO1AGXTCA1
SCHEMBL198803 0.88 ERN1 (0.47) ERN1PTGS2IDO1AGXTMAOB
Ether SCHEMBL8429378 0.83 PTGS2 (0.36) ERN1PTGS2IDO1AGXTTDP1
SCHEMBL10735808 0.83 TTR (0.42) IDO1AGXTMAOBTTR
SCHEMBL13378275 0.82 IDO1 (0.52) ERN1PTGS2IDO1AGXTMAOB
SCHEMBL11313016 0.81 ERN1 (0.51) ERN1PTGS2IDO1AGXTMAOB
SCHEMBL187751 0.80 HRH3 (0.47) IDO1AGXTMAOBFAAHHRH3
SCHEMBL134443 0.80 IDO1 (0.46) ERN1PTGS2IDO1AGXTMAOB
SCHEMBL9456876 0.80 HRH3 (0.47) IDO1AGXTMAOBFAAHHRH3
SCHEMBL12648082 0.79 AGXT (0.54) ERN1PTGS2IDO1AGXTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10310634-A None JP disclosed
EP-2516389-B1 FLUORINATED ARYLENE-CONTAINING COMPOUNDS, METHODS, AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES CO (US) 2016-02-17 EP disclosed
US-9045400-B2 Fluorinated aromatic bis(acyl)-containing compounds and polyesters prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-02 US disclosed
US-8975436-B2 Fluorinated arylene-containing compounds, methods, and polymers prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-10 US disclosed
US-20140163250-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-06-12 US disclosed
US-20120252997-A1 FLUORINATED ARYLENE-CONTAINING COMPOUNDS, METHODS, AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2012-10-04 US disclosed
US-20120252997-A1 FLUORINATED ARYLENE-CONTAINING COMPOUNDS, METHODS, AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2012-10-04 US disclosed
US-20120071626-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-20120071626-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
WO-2011087717-A1 FLUORINATED ARYLENE-CONTAINING COMPOUNDS, METHODS, AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-07-21 WO disclosed
WO-2011005396-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-01-13 WO disclosed
JP-H10310634-A PRODUCTION OF PHENOL NOVOLAC CONDENSATE MEIWA KASEI KK 1998-11-24 JP 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 (3 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-20140163250-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM NOTUM, FFAR1, FFAR2 ERN1 3948/4885PTGS2 4777/4885IDO1 4249/4885
US-20120071626-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM AFF1, AFF2, FFAR2 ERN1 1865/4885PTGS2 3311/4885IDO1 4213/4885
US-20120252997-A1 FLUORINATED ARYLENE-CONTAINING COMPOUNDS, METHODS, AND POLYMERS PREPARED THEREFROM WASF2, PFAS, FLI1 ERN1 3603/4885PTGS2 3006/4885IDO1 3252/4885

“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.