Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
| ▸ | PGK2 | P07205 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19409806 | 0.94 | TSHR (0.46) | TSHRALDH1A1CES2DHODHACHE | |
| SCHEMBL3367844 | 0.83 | CA12 (0.52) | TSHRCES2DHODHSRD5A2CYP1A2 | |
| SCHEMBL29540544 | 0.82 | ACHE (0.62) | TSHRALDH1A1CES2ACHENPSR1 | |
| SCHEMBL29425720 | 0.82 | CES2 (0.71) | ALDH1A1CES2SRD5A2NPSR1P2RX1 | |
| SCHEMBL8774976 | 0.82 | ACHE (0.49) | TSHRALDH1A1CES2ACHESRD5A2 | |
| SCHEMBL14776112 | 0.82 | PARP1 (0.57) | TSHRCES2DHODH | |
| SCHEMBL11024848 | 0.82 | CA12 (0.46) | TSHRCES2DHODHACHESRD5A2 | |
| SCHEMBL11681578 | 0.82 | ACHE (0.49) | TSHRALDH1A1CES2DHODHACHE | |
| SCHEMBL1360237 | 0.82 | ACHE (0.62) | TSHRALDH1A1CES2ACHENPSR1 | |
| SCHEMBL19310 | 0.82 | CES2 (0.71) | ALDH1A1CES2SRD5A2NPSR1P2RX1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4581179-A | Process for the preparation of trifluoromethylbenzoyl chlorides and bromides from trifluoromethylbenzoyl fluorides | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-08 | — | — | US | claimed |
| US-4500471-A | REACTING TRICHLORO-OR TRIBROMOMETHYLBENZOYL HALIDES WITH HYDROGEN FLORIDE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-02-19 | — | — | US | claimed |
| EP-0038223-B1 | PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLBENZOYL HALIDES | OCCIDENTAL CHEMICAL CORPORATION (US) | 1984-08-08 | — | — | EP | claimed |
| EP-0038223-A1 | Process for the preparation of trifluoromethylbenzoyl halides | OCCIDENTAL CHEMICAL CORPORATION (US) | 1981-10-21 | — | — | EP | claimed |
| JP-62181234-A | — | — | None | — | — | JP | disclosed |
| CN-107400052-B | Synthesis method of methyl o-, m-and p-trifluoromethylbenzoate | 淄博飞源化工有限公司 | 2020-05-01 | — | — | CN | disclosed |
| CN-100545140-C | High-purity (fluoroalkyl) benzene derivative and preparation method thereof | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-09-30 | — | — | CN | disclosed |
| CN-101328137-A | Synthetic method of aromatic acry cyanide | ZHEJIANG PULUO PHARMACEUTICAL (CN) | 2008-12-24 | — | — | CN | disclosed |
| US-7405331-B2 | High-purity (fluoroalkyl)benzene derivative and process for producing the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2008-07-29 | — | — | US | disclosed |
| US-20060167324-A1 | High-purity (fluoroalkyl)benzene derivative and process for producing the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2006-07-27 | — | — | US | disclosed |
| CN-1653029-A | High-purity (fluoroalkyl) benzene derivative and preparation method thereof | MITSUBISHI GAS CHEMICAL CO (JP) | 2005-08-10 | — | — | CN | disclosed |
| EP-1500641-A1 | HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-01-26 | — | — | EP | disclosed |
| JP-S62181234-A | PRODUCTION OF ISOPHTHALOYL DICHLORIDE | IHARA NIKKEI KAGAKU KOGYO KK | 1987-08-08 | — | — | JP | disclosed |
| US-4581179-A | Process for the preparation of trifluoromethylbenzoyl chlorides and bromides from trifluoromethylbenzoyl fluorides | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-08 | — | — | US | disclosed |
| US-4500471-A | REACTING TRICHLORO-OR TRIBROMOMETHYLBENZOYL HALIDES WITH HYDROGEN FLORIDE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-02-19 | — | — | US | disclosed |
| EP-0038223-B1 | PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLBENZOYL HALIDES | OCCIDENTAL CHEMICAL CORPORATION (US) | 1984-08-08 | — | — | EP | disclosed |
| EP-0038223-A1 | Process for the preparation of trifluoromethylbenzoyl halides | OCCIDENTAL CHEMICAL CORPORATION (US) | 1981-10-21 | — | — | EP | disclosed |
| US-4163753-A | FROM AN ALIPHATIC ACID ANHYDRIDE AND A TRICHLOROMETHYL AROMATIC COMPOUND | Diaz Chemical Corporation (US) | 1979-08-07 | — | — | US | disclosed |
| US-3966832-A | Continuous process for preparing derivatives of benzene with fluorinated side chains from the corresponding chlorine compounds | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060167324-A1 | High-purity (fluoroalkyl)benzene derivative and process for producing the same | HBB, AFF4, AFF2 | TSHR 1513/4885ALDH1A1 669/4885CES2 2075/4885 |
“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.