Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 6/20 | 0.50 |
| ▸ | KDM5A | P29375 | 2/20 | 0.50 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.46 |
| ▸ | KDM4A | O75164 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.43 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | RBP4 | P02753 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7081681 | 0.90 | CYP2E1 (0.48) | KDM4CKDM5AKDM5BCYP19A1KDM4A | |
| SCHEMBL7077297 | 0.86 | KDM4C (0.54) | KDM4CKDM5AKDM5BCYP19A1KDM4A | |
| SCHEMBL7129471 | 0.82 | KMT2A (0.43) | KDM4CKDM5AKDM5BCYP2D6CYP2C9 | |
| SCHEMBL7077600 | 0.80 | PTPN1 (0.42) | KDM4CKDM5AKDM5BCYP3A4HPGD | |
| SCHEMBL7079064 | 0.79 | CYP19A1 (0.60) | CYP19A1CYP3A4CYP2D6CYP1A2AGTR2 | |
| SCHEMBL7078797 | 0.77 | SIRT2 (0.40) | KDM4CKDM5AKDM5BCYP3A4HPGD | |
| SCHEMBL7130008 | 0.77 | KDM2B (0.42) | KDM4CKDM5AKDM5BKDM4A | |
| SCHEMBL7077219 | 0.75 | SMN1; SMN2 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19PLOD2 | |
| SCHEMBL7078642 | 0.74 | HDAC1 (0.55) | CYP19A1 | |
| SCHEMBL7077275 | 0.74 | KDM2B (0.40) | KDM5AKDM5BALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030229079-A1 | 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof | PAYNE LINDA S (US) | 2003-12-11 | — | — | US | claimed |
| EP-1196384-A4 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO INC (US) | 2002-10-23 | — | — | EP | claimed |
| EP-1196384-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | Merck & Co., Inc. (US) | 2002-04-17 | — | — | EP | claimed |
| WO-2001000578-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | claimed |
| US-20030229079-A1 | 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof | PAYNE LINDA S (US) | 2003-12-11 | — | — | US | disclosed |
| EP-1196384-A4 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO INC (US) | 2002-10-23 | — | — | EP | disclosed |
| EP-1196384-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | Merck & Co., Inc. (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001000578-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-01-04 | — | — | 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-20030229079-A1 | 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof | CYP2S1, IMPDH1, IDO1 | KDM4C 1486/4885KDM5A 2332/4885KDM5B 2648/4885 |
“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.