Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL5443541 | 1.00 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL5456066 | 0.97 | — | — | |
| SCHEMBL5456064 | 0.97 | — | — | |
| SCHEMBL873747 | 0.92 | — | — | |
| SCHEMBL5415862 | 0.85 | — | — | |
| SCHEMBL1088091 | 0.81 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL28425729 | 0.80 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL29333093 | 0.80 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL29333109 | 0.80 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL599277 | 0.80 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107986943-B | Synthesis method of cyclohexanedimethanol, catalyst and application thereof | 万华化学集团股份有限公司 | 2021-04-20 | — | — | CN | claimed |
| US-20070078146-A1 | Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma | PHARMACIA CORPORATION | 2007-04-05 | — | — | US | claimed |
| US-6979686-B1 | Substituted pyrazoles as p38 kinase inhibitors | PHARMACIA CORPORATION (US) | 2005-12-27 | — | — | US | claimed |
| EP-1144403-B1 | SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS | SEARLE LLC (US) | 2004-10-06 | — | — | EP | claimed |
| US-6525059-B1 | Mitogen-activated protein kinases (MAP); | G. D. SEARLE & COMPANY | 2003-02-25 | — | — | US | claimed |
| EP-1144403-A1 | SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2001-10-17 | — | — | EP | claimed |
| WO-2000031063-A1 | SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-06-02 | — | — | WO | claimed |
| CN-114231507-B | Choline Arthrobacter choline oxidase mutant and application thereof | 无锡阿科力科技股份有限公司 | 2023-11-14 | — | — | CN | disclosed |
| CN-114231507-A | Choline oxidase mutant of Arthrobacter bilis and application thereof | 无锡阿科力科技股份有限公司 | 2022-03-25 | — | — | CN | disclosed |
| CN-107986943-B | Synthesis method of cyclohexanedimethanol, catalyst and application thereof | 万华化学集团股份有限公司 | 2021-04-20 | — | — | CN | disclosed |
| US-20180079823-A1 | NOVEL BENZODIAZEPINE DERIVATIVES | IMMUNOGEN, INC. (US) | 2018-03-22 | — | — | US | disclosed |
| US-20170183419-A1 | NOVEL BENZODIAZEPINE DERIVATIVES | IMMUNOGEN, INC. | 2017-06-29 | — | — | US | disclosed |
| EP-2051955-B1 | PRODUCTION OF ALPHA HYDROXY KETONES VIA CARBENE CATALYZED POLE REVERSAL REACTION OF ALDEHYDES | EVONIK DEGUSSA GMBH (DE) | 2016-08-31 | — | — | EP | disclosed |
| US-4061851-A | 7-Amino-7-arylthio cephalosporins | E. R. SQUIBB & SONS, INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4061629-A | 6-Amino-6-arylthio penicillanic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4029669-A | 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1977-06-14 | — | — | US | disclosed |
| US-4026886-A | 7-Acyl-7-arylthiocephalosporins | E. R. SQUIBB & SONS, INC. (US) | 1977-05-31 | — | — | US | disclosed |
| US-3994912-A | INTERMEDIATES | E. R. SQUIBB & SONS, INC. (US) | 1976-11-30 | — | — | US | disclosed |
| US-3965093-A | 6-Arylthio penicillanic acid and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1976-06-22 | — | — | US | disclosed |
| US-3954744-A | ANTIBACTERIAL | E. R. SQUIBB & SONS, INC. (US) | 1976-05-04 | — | — | 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 (3 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-20070078146-A1 | Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma | MAPK1, MAPK3, MAPK4 | CES2 4820/4885CES1 3698/4885HDAC8 357/4885 |
| US-20170183419-A1 | NOVEL BENZODIAZEPINE DERIVATIVES | GABRB1, GABRB3, GABRA1 | CES2 1717/4885CES1 1385/4885HDAC8 1313/4885 |
| US-20180079823-A1 | NOVEL BENZODIAZEPINE DERIVATIVES | GABRB1, GABRB3, GABRA1 | CES2 1717/4885CES1 1385/4885HDAC8 1313/4885 |
“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.