Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL9019416 | 0.88 | ESR2 (0.43) | ESR2CYP11B1CYP11B2PTGS2BACE1 | |
| SCHEMBL9030784 | 0.88 | FLT3 (0.39) | ESR2CYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL31279683 | 0.85 | ESR2 (0.41) | ESR2BACE1NPC1CASP3RAB9A | |
| SCHEMBL15255856 | 0.85 | ESR2 (0.41) | ESR2BACE1NPC1CASP3RAB9A | |
| SCHEMBL22122631 | 0.85 | ESR2 (0.41) | ESR2BACE1NPC1CASP3RAB9A | |
| SCHEMBL9828942 | 0.84 | ESR2 (0.40) | ESR2BACE1NPC1CASP3RAB9A | |
| SCHEMBL11190434 | 0.83 | ESR2 (0.54) | ESR2BACE1NPC1CASP3RAB9A | |
| SCHEMBL30357025 | 0.82 | ESR2 (0.42) | ESR2BACE1NPC1CASP3RAB9A | |
| SCHEMBL8932614 | 0.82 | ESR2 (0.42) | ESR2BACE1NPC1CASP3RAB9A | |
| SCHEMBL10931526 | 0.82 | ESR2 (0.47) | ESR2BACE1NPC1CASP3RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-8163200-B2 | Cyclohexene compounds for liquid-crystalline mixtures | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2012-04-24 | — | — | US | disclosed |
| US-8163200-B2 | Cyclohexene compounds for liquid-crystalline mixtures | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2012-04-24 | — | — | US | disclosed |
| EP-2052055-B1 | CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2011-07-06 | — | — | EP | disclosed |
| US-20100237285-A1 | CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GESELLSCHAFT (DE) | 2010-09-23 | — | — | US | disclosed |
| US-20100237285-A1 | CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GESELLSCHAFT (DE) | 2010-09-23 | — | — | US | disclosed |
| WO-2008019743-A1 | CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2008-02-21 | — | — | 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 (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-20100237285-A1 | CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES | C1S, CHRM1, C1R | ESR2 1443/4885CYP11B1 848/4885CYP11B2 944/4885 |
“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.