SCHEMBL2970013

SCHEMBL2970013

FCC(F)(F)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
LTA4H P09960 2/20 0.38
KCNA3 P22001 1/20 0.37
KIF11 P52732 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA4 P22748 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
GRIN2B Q13224 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
RECQL P46063 1/20 0.33
SLC7A5 Q01650 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATG4B Q9Y4P1 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
SCHEMBL6466370 0.87 MAPT (0.34) TSHRKIF11ALDH1A1EPHX2MAPT
SCHEMBL9910049 0.79 LTA4H (0.39) TSHRLTA4HKCNA3CA4
SCHEMBL3271256 0.77 ESR1 (0.42) LTA4HCYP1A2CYP2C19
SCHEMBL1067532 0.77
SCHEMBL9586800 0.77 TDP1 (0.42) TSHRKIF11ALDH1A1MAPT
SCHEMBL6272101 0.77 CYP3A4 (0.48) TSHRLTA4HKIF11ALDH1A1RECQL
Hydrochloric Acid SCHEMBL9586685 0.76 MAOB (0.43) TSHRALDH1A1MAPT
SCHEMBL16032165 0.76 MAOB (0.44) ALDH1A1CYP1A2CYP2C19
SCHEMBL4297340 0.76
SCHEMBL5185110 0.74 ALDH1A1 (0.37) TSHRLTA4HKCNA3ALDH1A1CA4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116864809-A Lithium ion battery electrolyte and application thereof 远景动力技术(江苏)有限公司 2023-10-10 CN claimed
US-7763602-B2 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2010-07-27 US claimed
US-7691837-B2 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
CN-116864809-A Lithium ion battery electrolyte and application thereof 远景动力技术(江苏)有限公司 2023-10-10 CN disclosed
EP-3521266-B1 SUBSTITUTED BIS(TRIFLUOROVINYL)BENZENE COMPOUND TOSOH FINECHEM CORP (JP) 2021-03-24 EP disclosed
EP-3521266-A1 SUBSTITUTED BIS(TRIFLUOROVINYL)BENZENE COMPOUND Tosoh Finechem Corporation (JP) 2019-08-07 EP disclosed
US-20040220409-A1 Flecainide synthesis MCDANIEL WILLIAM C 2004-11-04 US disclosed
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 WO disclosed
EP-0376778-A1 Process for the preparation of trifluorethoxylated arylic ketones RHONE-POULENC CHIMIE (FR) 1990-07-04 EP disclosed
EP-0197869-B1 PROCESS FOR THE PREPARATION OF PENTAFLUOROETHOXY- AND PENTAFLUOROETHYL THIOBENZENE DERIVATIVES RHONE-POULENC CHIMIE (FR) 1989-05-31 EP disclosed
US-4816596-A ETHERIFICATION OR SULFIDING A PHENOL OR THIOPHENOL RHONE-POLENC SPECIALITES CHIMOUES (FR) 1989-03-28 US disclosed
EP-0200657-A1 Process for the preparation of trifluoroethoxy- or trifluoroethylthiobenzenes RHONE-POULENC CHIMIE (FR) 1986-11-05 EP disclosed
EP-0197868-A1 Process for the preparation of dichlorotrifluoroethoxy and ethylthioaromatic derivatives RHONE-POULENC CHIMIE (FR) 1986-10-15 EP disclosed
US-4534788-A CONTROLLING WEEDS IN WHEAT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-13 US disclosed
EP-0064322-B1 BENZENESULFONYL ISOCYANATES, ISOTHIOCYANATES, CHLORIDES, AND SULFONAMIDES HAVING A FLUORINATED SUBSTITUENT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-22 EP disclosed
US-4452628-A TRIAZINYL BENZENE SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US disclosed
EP-0023422-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-22 EP disclosed
EP-0064322-A2 Benzenesulfonyl isocyanates, isothiocyanates, chlorides, and sulfonamides having a fluorinated substituent E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-11-10 EP disclosed
EP-0057546-A2 Sulfonylurea N-oxides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-11 EP disclosed
EP-0023422-A2 Herbicidal sulfonamides, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-04 EP 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-20040220409-A1 Flecainide synthesis KCNH1, CYP3A43, CYP2F1 TSHR 245/4885LTA4H 2975/4885KCNA3 101/4885

“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.