Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL2574215 | 1.00 | CHRM2 (0.37) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL28684224 | 0.81 | CHRM2 (0.40) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL19638262 | 0.79 | CYP3A4 (0.36) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL272466 | 0.68 | CHRM2 (0.35) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL12936699 | 0.67 | CHRM2 (0.46) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL2171740 | 0.67 | CHRM2 (0.43) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL28129853 | 0.66 | CHRM2 (0.53) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL7499029 | 0.66 | — | — | |
| SCHEMBL22416022 | 0.66 | CHRM2 (0.32) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL20787030 | 0.65 | ALDH1A1 (0.36) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107417505-B | Preparation method of alpha-halogenated tetramethyl cyclohexanone and (2,3,4, 4-tetramethylcyclopentyl) methyl carboxylic ester | 信越化学工业株式会社 | 2021-04-06 | — | — | CN | disclosed |
| CN-107417505-B | Preparation method of alpha-halogenated tetramethyl cyclohexanone and (2,3,4, 4-tetramethylcyclopentyl) methyl carboxylic ester | 信越化学工业株式会社 | 2021-04-06 | — | — | CN | disclosed |
| US-9919994-B2 | Alpha-halotetramethycyclohexanone, a method for the preparation thereof, and a method for the preparation of a (2,3,4,4-tetramethylcyclopentyl)methy carboxylate compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-20 | — | — | US | disclosed |
| CN-107417505-A | α halo tetramethyl-ring hexanones and its with（2,3,4,4 tetramethyl-ring amyl groups）The preparation method of methyl carboxylic acids ester | 信越化学工业株式会社 | 2017-12-01 | — | — | CN | disclosed |
| US-20170342013-A1 | ALPHA-HALOTETRAMETHYCYCLOHEXANONE, A METHOD FOR THE PREPARATION THEREOF, AND A METHOD FOR THE PREPARATION OF A (2,3,4,4-TETRAMETHYLCYCLOPENTYL)METHY CARBOXYLATE COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-11-30 | — | — | US | disclosed |
| EP-3248959-A2 | ALPHA HALOTETRAMETHYLCYCLOHEXANONE, A METHOD FOR THE PREPARATION THEREOF, AND A METHOD FOR THE PREPARATION OF A (2,3,4,4-TETRAMETHYLCYCLOPENTYL) METHYL CARBOXYLATE COMPOUND | Shin-Etsu Chemical Co., Ltd. (JP) | 2017-11-29 | — | — | EP | 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-20170342013-A1 | ALPHA-HALOTETRAMETHYCYCLOHEXANONE, A METHOD FOR THE PREPARATION THEREOF, AND A METHOD FOR THE PREPARATION OF A (2,3,4,4-TETRAMETHYLCYCLOPENTYL)METHY CARBOXYLATE COMPOUND | PTMS, FOSB, PTMA | CHRM2 262/4885CHRM4 151/4885CHRM1 211/4885 |
“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.