Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL4078654 | 0.89 | TSHR (0.38) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 | |
| SCHEMBL37955 | 0.88 | TSHR (0.45) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 | |
| SCHEMBL5494672 | 0.88 | TSHR (0.45) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 | |
| SCHEMBL29352563 | 0.88 | TSHR (0.45) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 | |
| SCHEMBL10345659 | 0.86 | TSHR (0.36) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 | |
| SCHEMBL27866149 | 0.85 | TDP2 (0.46) | ALDH1A1TSHRCYP3A4CYP1A2CYP2A6 | |
| SCHEMBL10346182 | 0.84 | TSHR (0.43) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 | |
| Fluoride SCHEMBL29115076 | 0.84 | TSHR (0.43) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 | |
| Iodide SCHEMBL29115031 | 0.84 | TSHR (0.43) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 | |
| Hydrochloric Acid SCHEMBL29115086 | 0.84 | CYP1A2 (0.43) | ALDH1A1TSHRCYP3A4MAPK1CYP1A2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010039349-A1 | Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds | SHELL OIL COMPANY | 2001-11-08 | — | — | US | claimed |
| US-20130259775-A1 | Transalkylation Of Heavy Aromatic Hydrocarbon Feedstocks | EXXONMOBIL CHEMICAL PATENTS INC. | 2013-10-03 | — | — | US | disclosed |
| EP-1500659-B1 | Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons | SHELL INT RESEARCH (NL) | 2008-09-24 | — | — | EP | disclosed |
| EP-1268490-B1 | SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H BONDS IN CYCLIC HYDROCARBONS | SHELL INT RESEARCH (NL) | 2005-01-26 | — | — | EP | disclosed |
| EP-1500659-A1 | Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2005-01-26 | — | — | EP | disclosed |
| US-20010039349-A1 | Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds | SHELL OIL COMPANY | 2001-11-08 | — | — | US | disclosed |
| EP-0770631-B1 | Manufacturing process for high cis poly(butadiene) | DOW CHEMICAL CO (US) | 2000-06-21 | — | — | EP | disclosed |
| US-5691429-A | POLYALKOXYBENZENES | SHELL OIL COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| EP-0770631-A1 | Manufacturing process for high cis poly(butadiene) | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1997-05-02 | — | — | EP | disclosed |
| EP-0330195-A1 | Process for producing pyromellitic dianhydride and catalyst used in said process | KAWASAKI STEEL CORPORATION (JP) | 1989-08-30 | — | — | EP | 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-20010039349-A1 | Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds | AHR, PAH, HRH3 | ALDH1A1 1723/4885TSHR 1650/4885CYP3A4 125/4885 |
“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.