Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | ACP1 | P24666 | 2/20 | 0.35 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7882962 | 0.83 | EPAS1 (0.38) | KDM1ANOTUMTMPRSS4CYP11B1CYP11B2 | |
| SCHEMBL13550078 | 0.83 | KDM1A (0.34) | KDM1ANOTUMSIGMAR1 | |
| SCHEMBL817540 | 0.80 | KDM1A (0.38) | KDM1ANOTUMCYP11B1CYP11B2EPRS1 | |
| SCHEMBL1042998 | 0.80 | CES2 (0.40) | NOTUMACP1TMPRSS4CA1CA2 | |
| SCHEMBL3115697 | 0.78 | GAA (0.50) | KDM1AACP1TMPRSS4CA1CA2 | |
| SCHEMBL14885993 | 0.78 | SMN1; SMN2 (0.37) | NOTUMACP1TMPRSS4CA2POLB | |
| SCHEMBL978692 | 0.78 | NOTUM (0.42) | KDM1ANOTUMTMPRSS4 | |
| SCHEMBL31619143 | 0.76 | EPAS1 (0.37) | KDM1ANOTUMCYP11B1CYP11B2 | |
| SCHEMBL13550102 | 0.74 | RAPGEF4 (0.37) | KDM1ANOTUM | |
| SCHEMBL31616900 | 0.74 | KDM1A (0.35) | KDM1ANOTUMCYP11B1CYP11B2TSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6814895-B2 | INTERMEDIATE IN THE SYNTHESIS OF PHARMACEUTICAL COMPOUNDS WHICH ARE SUBSTANCE P (NEUROKININ-1) RECEPTOR ANTAGONISTS | MERCK & CO., INC. | 2004-11-09 | — | — | US | disclosed |
| US-6777580-B2 | TREATING 1-(3,5- BIS(TRIFLUOROMETHYL)PHENYL)ETHAN-1-ONE WITH BIS((PENTAMETHYLCYCLOPENTADIENYL)RHODIUM CHLORIDE) AND (S,R)-CIS-1-AMINO-2-HYDROXY-INDANE IN THE PRESENCE OF ISOPROPANOL | MERCK & CO., INC. | 2004-08-17 | — | — | US | disclosed |
| US-20040108603-A1 | Process for the synthesis of 1-(3,5-bis(trifluoromethyl)-phenyl)ethan-1-one | MERCK SHARP & DOHME CORP. | 2004-06-10 | — | — | US | disclosed |
| US-20030153760-A1 | Treating 1-(3,5- bis(trifluoromethyl)phenyl)ethan-1-one with bis((pentamethylcyclopentadienyl)rhodium chloride) and (S,R)-cis-1-amino-2-hydroxy-indane in the presence of isopropanol | MERCK & CO., INC. | 2003-08-14 | — | — | US | disclosed |
| US-6504066-B1 | Reduction of halogen containing carbocyclic ketones, to form chemical intermediates which are substance-P receptor antagonists useful as antiinflammatory and antiemetic agents and for treatment of psychological disorders | MERCK & CO. INC. | 2003-01-07 | — | — | US | disclosed |
| US-6489507-B1 | TREATING GRIGNARD REAGENT FROM 3,5-BIS(TRIFLUOROMETHYL)BROMOBENZENE WITH CARBON DIOXIDE GAS IN SOLVENT AT LOW TEMPERATURE, TREATING PRODUCT WITH STRONG ACID TO GIVE 3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| EP-1192118-A4 | PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE | MERCK & CO INC (US) | 2002-11-04 | — | — | EP | disclosed |
| EP-1196364-A1 | PROCESS FOR THE SYNTHESIS OF (R)-1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-OL BY ASYMMETRIC TRANSFER HYDROGENATION | Merck & Co., Inc. (US) | 2002-04-17 | — | — | EP | disclosed |
| EP-1192118-A1 | PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| US-6350915-B1 | FORMING A GRIGNARD REAGENT AND REACTION WITH ACETIC ANHYDRIDE | MERCK & CO., INC. | 2002-02-26 | — | — | US | disclosed |
| US-6255545-B1 | BROMINATION OF BENZENE, M-BIS/TRIFLUOROMETHYL/-WITH 1,3-DIBROMO-5,5-DIMETHYLHYDANTOIN OR BROMOSUCCINIMIDE IN THE PRESENCE OF ACETIC ACID AND SULFURIC ACID | MERCK & CO., INC. | 2001-07-03 | — | — | US | disclosed |
| WO-2001002326-A1 | PROCESS FOR THE SYNTHESIS OF (R)-1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-OL BY ASYMMETRIC TRANSFER HYDROGENATION | MERCK & CO., INC. (US) | 2001-01-11 | — | — | WO | disclosed |
| WO-2000076948-A1 | PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE | MERCK & CO., INC. (US) | 2000-12-21 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040108603-A1 | Process for the synthesis of 1-(3,5-bis(trifluoromethyl)-phenyl)ethan-1-one | HCCS, FEN1, RPS3A | KDM1A 1656/4885NOTUM 2806/4885ACP1 617/4885 |
| US-20030153760-A1 | Treating 1-(3,5- bis(trifluoromethyl)phenyl)ethan-1-one with bis((pentamethylcyclopentadienyl)rhodium chloride) and (S,R)-cis-1-amino-2-hydroxy-indane in the presence of isopropanol | HTR1D, SIGMAR1, HTR1A | KDM1A 1139/4885NOTUM 320/4885ACP1 1845/4885 |
“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.