Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GRM8 | O00222 | 1/20 | 0.37 |
| ▸ | GRM6 | O15303 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.32 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL19638393 | 1.00 | APLNR (0.39) | APLNRGRM4CYP2C19ALDH1A1MEN1 | |
| SCHEMBL19651887 | 0.82 | APLNR (0.30) | APLNR | |
| SCHEMBL19649536 | 0.78 | GABRR1 (0.39) | APLNRGRM4CYP2C19ALDH1A1MEN1 | |
| SCHEMBL19649538 | 0.77 | ATM (0.34) | ALDH1A1CYP1A2KMT2ACYP2D6 | |
| SCHEMBL19638369 | 0.77 | ATM (0.34) | ALDH1A1CYP1A2KMT2ACYP2D6 | |
| SCHEMBL28951980 | 0.70 | EPHX1 (0.41) | APLNR | |
| SCHEMBL19638433 | 0.68 | SLC6A12 (0.39) | APLNRCYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL22345753 | 0.68 | GRM4 (0.41) | APLNRGRM4CYP2C19ALDH1A1MEN1 | |
| SCHEMBL7405779 | 0.68 | SLC6A12 (0.41) | APLNRGRM4CYP2C19ALDH1A1MEN1 | |
| SCHEMBL8522673 | 0.67 | APLNR (0.62) | APLNRGRM4CYP2C19ALDH1A1MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |
| 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 | APLNR 3273/4885GRM4 2527/4885CYP2C19 2620/4885 |
“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.