Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5897591 | 0.97 | CYP1A2 (0.39) | CYP1A2HIF1AALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL28540639 | 0.83 | THRB (0.30) | ALDH1A1SMN1; SMN2TSHRNPC1RAB9A | |
| SCHEMBL1869315 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TSHRHTTTP53 | |
| SCHEMBL5897138 | 0.81 | CYP1A2 (0.38) | CYP1A2HIF1AALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL6559191 | 0.81 | CYP1A2 (0.36) | CYP1A2HIF1AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL9730177 | 0.79 | ALDH1A1 (0.46) | CYP1A2HIF1AALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL9636452 | 0.79 | ALDH1A1 (0.40) | CYP1A2HIF1AALDH1A1TSHRHTT | |
| SCHEMBL9729462 | 0.79 | ALDH1A1 (0.40) | CYP1A2HIF1AALDH1A1TSHRHTT | |
| SCHEMBL14635952 | 0.78 | HSD11B1 (0.31) | POLBKDM4E | |
| SCHEMBL16512558 | 0.75 | ALDH1A1 (0.41) | CYP1A2HIF1AALDH1A1SMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-8598199-B2 | Octahydropentalene compounds as chemokine receptor antagonists | ABBVIE INC. (US) | 2013-12-03 | — | — | US | disclosed |
| US-20110178096-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2011-07-21 | — | — | US | disclosed |
| US-7939544-B2 | Octahydropentalene compounds as chemokine receptor antagonists | ABBOTT LABORATORIES (US) | 2011-05-10 | — | — | US | disclosed |
| US-20090118298-A1 | Octahydropentalene compounds as chemokine receptor antagonists | ABBVIE INC. | 2009-05-07 | — | — | 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-20110178096-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | ACKR3, CCR5, CCL11 | CYP1A2 849/4885HIF1A 1264/4885ALDH1A1 662/4885 |
| US-20090118298-A1 | Octahydropentalene compounds as chemokine receptor antagonists | ACKR3, CCR5, CCL11 | CYP1A2 849/4885HIF1A 1264/4885ALDH1A1 662/4885 |
“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.