SCHEMBL1377

SCHEMBL1377

FC(F)(F)c1cccc(I)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
CES2 O00748 1/20 0.48
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TAAR1 Q96RJ0 1/20 0.45
IDO1 P14902 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL29438862 1.00 TSHR (0.54) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL28234693 0.93 TSHR (0.48) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL27361118 0.88 CA1 (0.46) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL31232708 0.87 MAOB (0.49) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL23240898 0.81 TSHR (0.40) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL3673839 0.81 ESR1 (0.38) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL22619018 0.81 PGK1 (0.38) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL30148546 0.81 TAS1R3 (0.37) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL6899596 0.81 TAS1R3 (0.37) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL5240704 0.81 TSHR (0.35) TSHRMAPK1CES2MGLLALDH1A1

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 1122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098610-A Method for producing an optical effect layer comprising magnetic or magnetizable pigment particles and exhibiting more than one marking 锡克拜控股有限公司 2023-11-21 CN claimed
WO-2023114640-A1 DEPOSITION OF METALS IN RECESSED FEATURES WITH THE USE OF HALOGEN-CONTAINING DEPOSITION INHIBITORS LAM RESEARCH CORPORATION (US) 2023-06-22 WO claimed
CN-111484503-B Mikanolide derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2022-05-27 CN claimed
CN-113831279-A Synthesis method of diflufenican 江苏禾裕泰化学有限公司 2021-12-24 CN claimed
WO-2021096496-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-05-20 WO claimed
EP-3790862-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS Colorado State University Research Foundation (US) 2021-03-17 EP claimed
CN-112262128-A Method for forming aryl carbon-nitrogen bond by illumination and photoreactor for carrying out the reaction 科罗拉多州立大学研究基金会 2021-01-22 CN claimed
CN-111484503-A Mikanolide derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2020-08-04 CN claimed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US claimed
WO-2020036661-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-02-20 WO claimed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 US claimed
WO-2012148772-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-11-01 WO claimed
CN-102286142-A Dibenzofuran and derivatives, preparation method and application thereof NINGBO INST MAT TECH & ENG CAS 2011-12-21 CN claimed
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP claimed
CN-100400529-C Fluorine-containing aromatic organic tetracarboxylic dianhydride and preparation method and application thereof CHINESE ACAD INST CHEMISTRY (CN) 2008-07-09 CN claimed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO claimed
CN-1605587-A Fluorine-containing aromatic organic tetracarboxylic dianhydride and preparation method and application thereof CHINESE ACAD INST CHEMISTRY (CN) 2005-04-13 CN claimed
EP-0870747-B1 Method of making m-chlorobenzotrifluoride OCCIDENTAL CHEM CO (US) 2001-11-28 EP claimed
EP-0870747-A1 Method of making m-chlorobenzotrifluoride Occidental Chemical Corporation (US) 1998-10-14 EP claimed
US-5750811-A HALOGENATION OF BENZOTRIFLUORIDE WITH CHLORINE GAS IN THE PRESENCE OF AN IRON, ANTIMONY OR ALUMINUM CHLORIDE CATALYST AND AN IODOARYL COCATALYST OCCIDENTAL CHEMICAL CORPORATION (US) 1998-05-12 US claimed

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-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE TST, FLI1, CYP2F1 TSHR 2475/4885MAPK1 662/4885CES2 1477/4885

“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.