SCHEMBL4661

SCHEMBL4661

FC(F)(F)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA5A P35218 1/20 0.57
CA9 Q16790 1/20 0.57
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
CES2 O00748 1/20 0.48
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CTSL P07711 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
MPO P05164 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

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
SCHEMBL29824423 1.00 CA1 (0.57) CA1CA2CA5ACA9TSHR
SCHEMBL1504972 0.98 CA1 (0.55) CA1CA2CA5ACA9TSHR
SCHEMBL1504913 0.98 CA1 (0.55) CA1CA2CA5ACA9TSHR
Hydrazine SCHEMBL28339222 0.93 CA1 (0.56) CA1CA2CA5ACA9TSHR
Bicarbonate SCHEMBL28555116 0.88 CES2 (0.53) CA1CA2CA5ACA9MAPK1
SCHEMBL788600 0.88 CA1 (0.61) CA1CA2CA5ACA9TSHR
Ethylamine SCHEMBL27809229 0.86 CA1 (0.50) CA1CA2CA5ACA9TSHR
Phenol SCHEMBL28217089 0.86 TSHR (0.46) CA1CA2CA5ACA9TSHR
SCHEMBL13623124 0.85 CA1 (0.57) CA1CA2CA5ACA9TSHR
SCHEMBL9546439 0.82 NPSR1 (0.53) CA1CA2CA5ACA9TSHR

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 1992 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119657182-A Composite catalyst, preparation method and application thereof 浙江巍华新材料股份有限公司 2025-03-21 CN claimed
CN-118619809-B Preparation method of m-bromobenzotrifluoride 天门楚天精细化工有限公司 2024-11-12 CN claimed
CN-118619809-A Preparation method of m-bromobenzotrifluoride 天门楚天精细化工有限公司 2024-09-10 CN claimed
CN-116283823-B Synthesis method and application of dehydroabietyl B-cyclobenzothiazole-aniline and diphenylamine compound 广西医科大学 2024-04-19 CN claimed
CN-114085197-B Synthesis method of 4- (3-trifluoromethyl phenyl) -1-piperazine-ethanol, flibanserin intermediate and flibanserin 合肥创新医药技术有限公司 2024-03-29 CN claimed
CN-116283823-A Synthesis method and application of dehydroabietyl B-cyclobenzothiazole-aniline and diphenylamine compound 广西医科大学 2023-06-23 CN claimed
CN-113801015-B Method for synthesizing aromatic carboxylic acid compound by using carbon dioxide 华南理工大学 2022-11-18 CN claimed
CN-114085197-A Synthesis method of 4- (3-trifluoromethylphenyl) -1-piperazine-ethanol, flibanserin intermediate and flibanserin 合肥创新医药技术有限公司 2022-02-25 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
CN-113801015-A Method for synthesizing aromatic carboxylic acid compound by using carbon dioxide 华南理工大学 2021-12-17 CN claimed
EP-1463737-B1 METHOD FOR THE PRODUCTION OF GRIGNARD COMPOUNDS GRUENENTHAL GMBH (DE) 2005-08-10 EP 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
US-20040245657-A1 Method for the production of Grignard compounds GRUNENTHAL GMBH (DE) 2004-12-09 US claimed
EP-0993432-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL ACETOPHENONE BAYER AG (DE) 2002-10-09 EP claimed
US-6420608-B1 REACTION OF VINYL ETHER OR VINYL AMIDE WITH HALOGENATED AROMATIC COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US claimed
EP-0993432-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL ACETOPHENONE Novartis AG (CH) 2000-04-19 EP claimed
WO-1998058895-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL ACETOPHENONE NOVARTIS AG (CH) 1998-12-30 WO claimed
US-5053541-A Condensation of allyamine with m-bromo-trifluoromethyl benzene in presence of nickel compound or complex as catalyst; catalyst selectivity RHONE-POULENC CHIMIE (FR) 1991-10-01 US claimed
EP-0385835-A1 Process for the preparation of n-allylmetatrifluoromethylanilin RHONE-POULENC CHIMIE (FR) 1990-09-05 EP claimed
US-4155940-A M-Bromo-benzotrifluorides BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 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-20040245657-A1 Method for the production of Grignard compounds GMNN, MSH2, GRHPR CA1 264/4885CA2 840/4885CA5A 1385/4885

“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.