Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17922583 | 0.84 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP1A1CYP1B1CA12 | |
| SCHEMBL145855 | 0.81 | ALDH1A1 (0.62) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 | |
| SCHEMBL12501 | 0.81 | ALDH1A1 (0.73) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 | |
| SCHEMBL29587173 | 0.78 | ALDH1A1 (0.59) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 | |
| SCHEMBL17922686 | 0.74 | NPC1 (0.50) | ALDH1A1ACHEMAPTCA12CA1 | |
| SCHEMBL12894659 | 0.74 | — | — | |
| SCHEMBL17922586 | 0.74 | — | — | |
| SCHEMBL2952197 | 0.74 | ALDH1A1 (0.53) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 | |
| SCHEMBL17922685 | 0.73 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP1A1CYP1B1MAPT | |
| SCHEMBL4342018 | 0.72 | ALDH1A1 (0.50) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 |
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-9938204-B2 | Intermolecular C-H silylation of unactivated arenes | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-04-10 | — | — | US | disclosed |
| US-20160200639-A1 | INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2016-07-14 | — | — | US | disclosed |
| CN-103459406-B | For the preparation of the method for transition metal complex, for the catalyzer of trimerization, for the preparation of the method for 1-hexene, for the preparation of the method (2) of the cyclopentadiene compound replaced | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2016-03-16 | — | — | CN | disclosed |
| CN-103459406-A | Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (2) | SUMITOMO CHEMICAL CO | 2013-12-18 | — | — | CN | 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-20160200639-A1 | INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES | CCNH, CTTN, CCRL2 | ALDH1A1 3641/4885ACHE 3480/4885CYP3A4 101/4885 |
“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.