SCHEMBL6709307

SCHEMBL6709307

O=C(O)C1(C(F)(F)F)C=CC(c2ccccc2)=CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
CYP2C9 P11712 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL27722980 0.91 RAB9A (0.32) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL31121574 0.88 NPC1 (0.30) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL28757379 0.88 NPC1 (0.30) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL8526230 0.80 FFAR1 (0.32) RAB9ACYP1A2SMN1; SMN2
SCHEMBL28788996 0.79 PDK2 (0.38)
SCHEMBL2121108 0.78 SRR (0.32)
SCHEMBL5014699 0.77 MAPT (0.31) SMN1; SMN2MAPT
SCHEMBL3947332 0.76 THRB (0.31)
SCHEMBL27633572 0.76 PDK2 (0.33) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL316146 0.76 THRB (0.32) CES1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068773-A Melanin concentrating hormone antagonists PROCTER & GAMBLE (US) 2007-11-07 CN claimed
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed
CN-104987326-B The set of reactive mass labels 电泳有限公司 2019-08-30 CN disclosed
CN-105451737-B Medical composition and its use and described pharmaceutical composition are used for the application process practised contraception on demand 拜耳医药股份有限公司 2018-04-10 CN disclosed
CN-101313223-B Mass labels for biomolecules comprising a 2, 6-dimethyl-piperidin-1-yl-methylene or pyrimidin-2-ylthiomethylene mass label moiety and a succinimidyl-oxy-carbonyl active functional group 电泳有限公司 2017-04-12 CN disclosed
CN-104987326-A Mass labels for biomolecules containing a 2,6-dimethyl-piperidin-L-YL methylene or a pyrimidin-2-YL thiomethylene mass marker moiety and a succinimid-oxy-carbonyl reactive functional group ELECTROPHORETICS LTD 2015-10-21 CN disclosed
CN-1960969-B Histamine H3 receptor agents, methods of preparation and therapeutic uses thereof LILLY CO ELI 2012-03-28 CN disclosed
CN-101119974-A Amide derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
CN-101068773-A Melanin concentrating hormone antagonists PROCTER & GAMBLE (US) 2007-11-07 CN disclosed
CN-1960969-A Histamine H3 receptor agents, methods of preparation and therapeutic uses thereof LILLY CO ELI (US) 2007-05-09 CN disclosed
CN-1832920-A Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA INC (US) 2006-09-13 CN disclosed
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 CN disclosed
CN-1556788-A Muscarinic agonists 2004-12-22 CN disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 CN 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 (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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 RAB9A 2511/4885NPC1 18/4885CYP1A2 936/4885

“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.