SCHEMBL5865852

SCHEMBL5865852

OC(c1ccccc1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NR1H2 P55055 5/20 0.51
NR1I2 O75469 1/20 0.47
PTPN1 P18031 1/20 0.46
RORC P51449 1/20 0.43
NR1H3 Q13133 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP19A1 P11511 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
KCNN4 O15554 1/20 0.39
KIF11 P52732 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL13736869 0.89 RORC (0.55) TSHRALDH1A1NR1H2NR1I2RORC
SCHEMBL5865830 0.87 NR1H2 (0.51) TSHRALDH1A1NR1H2NR1I2RORC
SCHEMBL25985492 0.87 NR1H2 (0.47) TSHRALDH1A1NR1H2NR1I2PTPN1
SCHEMBL11608877 0.87 ALDH1A1 (0.46) TSHRALDH1A1NR1H2NR1I2PTPN1
SCHEMBL1815767 0.87 NR1H2 (0.47) TSHRALDH1A1NR1H2NR1I2PTPN1
Hydrochloric Acid SCHEMBL18275180 0.85 NR1H2 (0.46) TSHRALDH1A1NR1H2NR1I2PTPN1
SCHEMBL2228773 0.84 TSHR (0.48) TSHRALDH1A1NR1H2NR1I2PTPN1
SCHEMBL15497439 0.83 TSHR (0.48) TSHRALDH1A1NR1H2NR1I2RORC
SCHEMBL18275136 0.83 SRD5A2 (0.53) TSHRNR1H2NR1I2PTPN1NR1H3
SCHEMBL7173455 0.82 CYP1A2 (0.48) TSHRALDH1A1PTPN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776404-B Method for rhenium ionic liquid assisted multi-stage pore metal organic framework material catalytic alcohol oxidation to aldehyde 辽宁大学 2022-06-14 CN claimed
CN-110776404-A Method for rhenium ionic liquid assisted multi-stage pore metal organic framework material catalytic alcohol oxidation to aldehyde 辽宁大学 2020-02-11 CN claimed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 US claimed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 US claimed
US-7087789-B2 Methods for nucleophilic fluoromethylation UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-08 US claimed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 US claimed
WO-2004063129-A2 METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-07-29 WO claimed
CN-110776404-B Method for rhenium ionic liquid assisted multi-stage pore metal organic framework material catalytic alcohol oxidation to aldehyde 辽宁大学 2022-06-14 CN disclosed
US-20210032184-A1 RADIOLABELING AGENTS, METHODS OF MAKING, AND METHODS OF USE THEREOF THE US SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2021-02-04 US disclosed
CN-110776404-A Method for rhenium ionic liquid assisted multi-stage pore metal organic framework material catalytic alcohol oxidation to aldehyde 辽宁大学 2020-02-11 CN disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
US-20190270689-A1 Radiolabeling Agents, Methods of Making, and Methods of Use Thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2019-09-05 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
EP-0946504-B1 COMPOUNDS USEFUL FOR PERHALOGENOALKYLATION, REAGENT FOR IMPLEMENTING THESE COMPOUNDS AND SYNTHESIS METHOD FOR OBTAINING THESE COMPOUNDS RHODIA CHIMIE SA (FR) 2003-08-13 EP disclosed
EP-1096926-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2001-05-09 EP disclosed
US-6203721-B1 FOR GRAFTING A SUBSTITUTED DIFLUOROMETHYL GROUP ONTO A COMPOUND CONTAINING ELECTROPHILIC GROUP RHODIA CHIMIE (FR) 2001-03-20 US disclosed
WO-2000002551-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2000-01-20 WO disclosed
EP-0946504-A1 COMPOUNDS USEFUL FOR PERHALOGENOALKYLATION, REAGENT FOR IMPLEMENTING THESE COMPOUNDS AND SYNTHESIS METHOD FOR OBTAINING THESE COMPOUNDS RHODIA CHIMIE (FR) 1999-10-06 EP disclosed
WO-1998022435-A9 COMPOUNDS USEFUL FOR PERHALOGENOALKYLATION, REAGENT FOR IMPLEMENTING THESE COMPOUNDS AND SYNTHESIS METHOD FOR OBTAINING THESE COMPOUNDS RHODIA CHIMIE SA (FR) 1999-08-26 WO disclosed
WO-1998022435-A1 COMPOUNDS USEFUL FOR PERHALOGENOALKYLATION, REAGENT FOR IMPLEMENTING THESE COMPOUNDS AND SYNTHESIS METHOD FOR OBTAINING THESE COMPOUNDS RHODIA CHIMIE (FR) 1998-05-28 WO 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-20040230079-A1 Methods for nucleophilic fluoromethylation PHF2, HAO2, GSTM2 TSHR 2421/4885ALDH1A1 1240/4885NR1H2 3340/4885
US-20190270689-A1 Radiolabeling Agents, Methods of Making, and Methods of Use Thereof PFAS, TMEM14C, FLI1 TSHR 547/4885ALDH1A1 2055/4885NR1H2 1559/4885
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE TST, FLI1, CYP2F1 TSHR 2475/4885ALDH1A1 1358/4885NR1H2 3490/4885
US-20210032184-A1 RADIOLABELING AGENTS, METHODS OF MAKING, AND METHODS OF USE THEREOF TMEM14C, PFAS, FLI1 TSHR 522/4885ALDH1A1 2039/4885NR1H2 1499/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS TSHR 2116/4885ALDH1A1 505/4885NR1H2 463/4885

“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.