Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6019910 | 1.00 | SIGMAR1 (0.50) | SIGMAR1CXCR4MMP2MMP1MMP3 | |
| SCHEMBL6018345 | 0.99 | SIGMAR1 (0.48) | SIGMAR1CXCR4MMP2MMP1MMP3 | |
| SCHEMBL6018342 | 0.99 | SIGMAR1 (0.48) | SIGMAR1CXCR4MMP2MMP1MMP3 | |
| SCHEMBL6019348 | 0.91 | SIGMAR1 (0.56) | SIGMAR1CXCR4MMP2MMP1MMP3 | |
| SCHEMBL6019344 | 0.91 | SIGMAR1 (0.56) | SIGMAR1CXCR4MMP2MMP1MMP3 | |
| SCHEMBL6019877 | 0.86 | HTR2A (0.48) | SIGMAR1CXCR4HTR2AHTR2CKDM2B | |
| SCHEMBL6019881 | 0.86 | HTR2A (0.48) | SIGMAR1CXCR4HTR2AHTR2CKDM2B | |
| SCHEMBL6019105 | 0.82 | TSHR (0.46) | TSHRHTR2AHTR2CL3MBTL1PSEN1 | |
| SCHEMBL6019100 | 0.82 | TSHR (0.46) | TSHRHTR2AHTR2CL3MBTL1PSEN1 | |
| SCHEMBL6019206 | 0.80 | HTR2C (0.43) | TP53TSHRHTR2AHTR2CL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1456171-B1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | EP | disclosed |
| US-20050272774-A1 | Substituted cyclohexane derivatives | ACKERMANN JEAN | 2005-12-08 | — | — | US | disclosed |
| US-6953806-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-10-11 | — | — | US | disclosed |
| US-20030199550-A1 | Substituted cyclohexane derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-10-23 | — | — | 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 (2 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-20050272774-A1 | Substituted cyclohexane derivatives | LSS, CYP51A1, CYP8B1 | SIGMAR1 3008/4885CXCR4 2893/4885MMP2 3268/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | SIGMAR1 2490/4885CXCR4 2176/4885MMP2 3831/4885 |
“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.