Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205012 | 0.86 | CYP3A4 (0.43) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL4158892 | 0.84 | KEAP1 (0.45) | TDP1TSHRL3MBTL1KEAP1NFE2L2 | |
| SCHEMBL1523492 | 0.83 | CD44 (0.48) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL28506091 | 0.83 | CD44 (0.48) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL615250 | 0.81 | CD44 (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL21235172 | 0.79 | CD44 (0.45) | CD44CYP3A4TDP1TSHRPIK3CA | |
| Hydrochloric Acid SCHEMBL11803726 | 0.79 | TDP1 (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL7211351 | 0.78 | GAA (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL31672192 | 0.78 | GAA (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL11869206 | 0.77 | TSHR (0.44) | CYP3A4TSHRPIK3CAGAACA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110092759-A | The chloro- 2,4- pyrimidine derivatives of 5- as anti-tumor drug | 陆柯潮 | 2019-08-06 | — | — | CN | disclosed |
| CN-102459258-A | Preparation and use of 1,2, 4-triazolo [1,5a ] pyridine derivatives | CEPHALON INC | 2012-05-16 | — | — | CN | disclosed |
| US-7196229-B2 | Benzoylcyclohexenone derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2007-03-27 | — | — | US | disclosed |
| US-20040235793-A1 | Benzoylcyclohexenone derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2004-11-25 | — | — | US | disclosed |
| EP-1417170-A1 | BENZOYLCYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003014071-A1 | BENZOYLCYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | 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-20040235793-A1 | Benzoylcyclohexenone derivatives | CYC1, CYP1B1, CYP1A1 | CD44 4850/4885CYP3A4 156/4885TDP1 1437/4885 |
“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.