Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | 0.79 | CHRM2 (0.37) | CHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL19638263 | 0.79 | CHRM2 (0.37) | CHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL18264941 | 0.71 | CYP3A4 (0.36) | CYP3A4TSHR | |
| SCHEMBL7675335 | 0.71 | CHRM2 (0.35) | CYP3A4CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL1285572 | 0.69 | CHRM2 (0.38) | CYP3A4CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL10286934 | 0.68 | CYP3A4 (0.36) | CYP3A4CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL24942763 | 0.68 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL1301602 | 0.68 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL30630714 | 0.68 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL22608006 | 0.68 | CYP3A4 (0.31) | CYP3A4 |
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 11 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 | claimed |
| 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 |
| 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 |
| EP-3248959-B1 | ALPHA HALOTETRAMETHYLCYCLOHEXANONE, A METHOD FOR THE PREPARATION THEREOF, AND A METHOD FOR THE PREPARATION OF A (2,3,4,4-TETRAMETHYLCYCLOPENTYL) METHYL CARBOXYLATE COMPOUND | SHINETSU CHEMICAL CO (JP) | 2019-03-06 | — | — | EP | 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 |
| EP-3248959-A3 | 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) | 2018-01-24 | — | — | EP | 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 |
| 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 | CYP3A4 2093/4885CHRM2 262/4885CHRM1 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.