SCHEMBL38024

SCHEMBL38024

N#CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
IDO1 P14902 2/20 0.53
MIF P14174 2/20 0.53
HTR2A P28223 2/20 0.51
HTR2B P41595 2/20 0.51
HTR2C P28335 1/20 0.51
ACP3 P15309 1/20 0.50
ENPP2 Q13822 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MMP3 P08254 1/20 0.46
MAOB P27338 3/20 0.45
LMNA P02545 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL30096354 1.00 TAAR1 (0.55) TAAR1IDO1MIFHTR2AHTR2B
SCHEMBL10978169 0.85 FDFT1 (0.46) TAAR1IDO1ALDH1A1MAOBNR4A2
SCHEMBL14109292 0.83 OPRL1 (0.45) TAAR1IDO1MIFHTR2AHTR2B
SCHEMBL1833487 0.81 MEN1 (0.66) TAAR1IDO1MIFHTR2AHTR2B
SCHEMBL21021174 0.81 MAOB (0.59) ACP3KDM4EALDH1A1GAAMMP3
SCHEMBL3208460 0.81 TAAR1 (0.55) TAAR1IDO1MIFHTR2AHTR2B
SCHEMBL1758495 0.81 TAAR1 (0.59) TAAR1IDO1MIFHTR2AHTR2B
SCHEMBL3636560 0.81 MIF (0.62) TAAR1IDO1MIFHTR2AHTR2B
SCHEMBL9967842 0.81 ENPP2 (0.49) ENPP2KDM4EMMP3DRD3MEN1
SCHEMBL624792 0.79 IDO1 (0.47) TAAR1IDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240363899-A1 RECHARGEABLE LITHIUM BATTERY SAMSUNG SDI CO., LTD. (KR) 2024-10-31 US claimed
CN-118231768-A Electrolyte, sodium ion battery and electric equipment 比亚迪股份有限公司 2024-06-21 CN claimed
CN-117820169-A Preparation method of m-trifluoromethyl benzyl cyanide 上海赫腾精细化工有限公司 2024-04-05 CN claimed
CN-117317142-A Self-polymerization product modified lithium ion solid-state battery anode based on alkali-initiated in-situ nucleophilic reaction, and preparation method and application thereof 武汉大学 2023-12-29 CN claimed
CN-117229131-A Preparation method of 1-phenyl-3- (3-trifluoromethyl phenyl) -2-acetone 北京颖泰嘉和生物科技股份有限公司 2023-12-15 CN claimed
EP-4239748-A1 RECHARGEABLE LITHIUM BATTERY Samsung SDI Co., Ltd. (KR) 2023-09-06 EP claimed
CN-116478066-A Production process of m-trifluoromethyl benzyl cyanide 宁夏思科达生物科技有限公司 2023-07-25 CN claimed
CN-116003253-A Preparation method of trifluoro-phenylpyrimidine intermediate 2- [3- (trifluoromethyl) phenyl ] dimethyl malonate 上海试四化学品有限公司 2023-04-25 CN claimed
US-11634377-B2 Fenfluramine compositions and methods of preparing the same ZOGENIX INTERNATIONAL LIMITED (GB) 2023-04-25 US claimed
CN-109097256-B Microorganism culture device 上海天信绿色食品有限公司 2021-12-21 CN claimed
CN-101070278-A Phenyl-3-(3-trifluoro-methyl-phenyl)-2-propanone SHANGHAI WANKAI CHEMISTRY CO L (CN) 2007-11-14 CN claimed
CN-1257888-C Method for synthesizing m-trifluoromethyl benzyl cyanide SHANGHAI NO 4 REAGENT AND HV C (CN) 2006-05-31 CN claimed
CN-1660789-A Method for synthesizing m-trifluoromethyl benzyl cyanide SHISIHEWEI CHEMICAL CO LTD SHA (CN) 2005-08-31 CN claimed
EP-0292816-B1 PROCESS FOR THE PREPARATION OF META-TRIFLUOROMETHYLPHENYLACETONITRILE Degussa Aktiengesellschaft (DE) 1991-07-10 EP claimed
US-4824987-A Method of preparing m-trifluoromethylphenyl acetonitrile DEGUSSA AKTIENGESELLSCHAFT (DE) 1989-04-25 US claimed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US claimed
EP-0292816-A1 Process for the preparation of meta-trifluoromethylphenylacetonitrile Degussa Aktiengesellschaft (DE) 1988-11-30 EP claimed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US claimed
US-4307034-A ALKYLATION IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-12-22 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 (2 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-20240363899-A1 RECHARGEABLE LITHIUM BATTERY PHOSPHO1, NIBAN2, NUCB2 TAAR1 1357/4885IDO1 2007/4885MIF 3003/4885
US-11634377-B2 Fenfluramine compositions and methods of preparing the same FAAH, FAAH2, TPH1 TAAR1 243/4885IDO1 134/4885MIF 3466/4885

“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.