SCHEMBL951559

SCHEMBL951559

FC(F)(F)C(F)(c1ccccc1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KCNN4 O15554 4/20 0.50
PTPN1 P18031 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
KIF11 P52732 1/20 0.42
MAPK1 P28482 1/20 0.38
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP1A2 P05177 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
CES1 P23141 1/20 0.35
TRPV6 Q9H1D0 1/20 0.34

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
SCHEMBL3408892 0.89 ALDH1A1 (0.48) TSHRALDH1A1KCNN4PTPN1CA1
SCHEMBL28845351 0.86 TSHR (0.50) TSHRALDH1A1KCNN4PTPN1CA1
SCHEMBL8018923 0.86 KCNN4 (0.50) TSHRALDH1A1KCNN4PTPN1CA1
SCHEMBL8089802 0.86 TSHR (0.50) TSHRALDH1A1KCNN4PTPN1CA1
SCHEMBL16886230 0.84 ALDH1A1 (0.48) TSHRALDH1A1KCNN4PTPN1CA1
SCHEMBL3084295 0.84 TSHR (0.48) TSHRALDH1A1KCNN4PTPN1CA1
SCHEMBL28819791 0.84 KIF11 (0.65) TSHRALDH1A1PTPN1KIF11MAPK1
SCHEMBL497772 0.83 ESR1 (0.41) TSHRALDH1A1KIF11PGK1PGK2
Water SCHEMBL29107395 0.82 ALDH1A1 (0.46) TSHRALDH1A1KCNN4PTPN1CA1
SCHEMBL24961819 0.79 PGK1 (0.44) TSHRALDH1A1KCNN4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US claimed
EP-1619175-A1 Process for the preparation of fluorinated alkyl-substituted aromatic compounds Solvay Fluor GmbH (DE) 2006-01-25 EP claimed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US claimed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US claimed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 EP claimed
EP-3911658-B1 METHOD FOR PREPARATION OF FLUORO ALKYLATED COMPOUNDS BY HOMOGENEOUS NI CATALYSIS ARXADA AG (CH) 2023-01-11 EP disclosed
US-11530175-B2 Method for preparation of fluoro alkylated compounds by homogeneous Ni catalysis ARXADA AG (CH) 2022-12-20 US disclosed
CN-110776406-B Novel Friedel-Crafts reaction method and catalyst thereof 福建永晶科技股份有限公司 2022-11-04 CN disclosed
US-11465958-B2 Process for Friedel-Crafts reaction, and catalyst therefore FUJIAN YONGJING TECHNOLOGY CO., LTD. (CN) 2022-10-11 US disclosed
US-20220221619-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS INC. (CA) 2022-07-14 US disclosed
US-20220041530-A1 Method for Preparation of Fluoro Alkylated Compounds by Homogeneous NI Catalysis LONZA LTD (CH) 2022-02-10 US disclosed
CN-107722148-B Solid polyaluminoxane composition, catalyst for olefin polymerization, and method for producing olefin polymer 三井化学株式会社 2021-06-08 CN disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 EP disclosed
JP-2001288129-A PERFLUOROISOPROPYLBENZENE DERIVATIVE NIPPON NOHYAKU CO LTD 2001-10-16 JP disclosed
WO-2001056962-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES NIHON NOHYAKU CO., LTD. (JP) 2001-08-09 WO disclosed
EP-0082252-B1 PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND Daikin Kogyo Co., Ltd. (JP) 1985-08-21 EP disclosed
US-4484993-A ULTRASONIC ENERGY DAIKIN KOGYO CO., LTD. (JP) 1984-11-27 US disclosed
EP-0082252-A1 Process for producing fluorine-containing organic compound Daikin Kogyo Co., Ltd. (JP) 1983-06-29 EP disclosed
US-4096180-A Fluorodehydroxylation of serine MERCK & CO., INC. (US) 1978-06-20 US disclosed
US-4001406-A BENZENEDISULFONAMIDES AS ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1977-01-04 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-11465958-B2 Process for Friedel-Crafts reaction, and catalyst therefore HNF4A, TFEB, HACL2 TSHR 2377/4885ALDH1A1 497/4885KCNN4 2997/4885
US-20220041530-A1 Method for Preparation of Fluoro Alkylated Compounds by Homogeneous NI Catalysis ABL1, AFF2, NAF1 TSHR 1725/4885ALDH1A1 1150/4885KCNN4 681/4885
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 TSHR 232/4885ALDH1A1 1079/4885KCNN4 1028/4885
US-11530175-B2 Method for preparation of fluoro alkylated compounds by homogeneous Ni catalysis ABL1, AFF2, NAF1 TSHR 1725/4885ALDH1A1 1150/4885KCNN4 681/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 TSHR 60/4885ALDH1A1 2953/4885KCNN4 829/4885

“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.