Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6979506 | 0.78 | TSHR (0.45) | ALDH1A1MAPK1L3MBTL1KMT2AADRA2B | |
| SCHEMBL26637586 | 0.78 | ADRA2A (0.35) | ALDH1A1ADRA2BADRA2AADRA2CTSHR | |
| SCHEMBL15353596 | 0.77 | HTR1A (0.45) | ALDH1A1HTTKMT2AADRA2BADRA2A | |
| SCHEMBL30724463 | 0.77 | ADRA2A (0.45) | ALDH1A1HTTL3MBTL1KMT2AADRA2B | |
| SCHEMBL17403302 | 0.77 | CA12 (0.32) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL28805731 | 0.76 | CA1 (0.77) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL5308636 | 0.75 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL29351917 | 0.75 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL105872 | 0.75 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17911944 | 0.75 | MAPT (0.35) | CA1CA2CA7CA9CA12 |
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 17 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 |
| WO-2015035325-A1 | INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES | THE REGENTS OF UNIVERSITY OF CALIFORNIA (US) | 2015-03-12 | — | — | WO | disclosed |
| US-20130345220-A1 | COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS | IRM LLC (BM) | 2013-12-26 | — | — | US | disclosed |
| US-8569345-B2 | Compounds and compositions as LXR modulators | MOLTENI VALENTINA (US) | 2013-10-29 | — | — | US | disclosed |
| US-20120214812-A1 | COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS | IRM LLC (BM) | 2012-08-23 | — | — | US | disclosed |
| US-8158662-B2 | Compounds and compositions as LXR modulators | HAMILTON (BM) | 2012-04-17 | — | — | US | disclosed |
| US-20090325981-A1 | Compounds and compositions as lxr modulators | IRM LLC (BM) | 2009-12-31 | — | — | US | disclosed |
| EP-1202967-B1 | SULFURIC ACID MONO-[3-({1-[2-(4-FLUORO-PHENYL)-ETHYL]-PIPERIDIN-4-YL}-HYDROXY-METHYL)-2-METHOXY-PHENYL]ESTER | AVENTIS PHARMA INC (US) | 2006-12-20 | — | — | EP | disclosed |
| EP-1713799-A2 | COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS | IRM, LLC (BM) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005077124-A2 | COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS | IRM LLC (BM) | 2005-08-25 | — | — | WO | disclosed |
| US-20040152900-A1 | Method for the isolation of sulfuric acid mono-[3({1-[2-(4-fluorophenyly)-ethyl]-piperidin-4-yl}-2-methoxy-phenyl}ester | AVENTIS PHARMACEUTICALS INC. (US) | 2004-08-05 | — | — | US | disclosed |
| US-6716986-B2 | METABOLITES OF THE 5HT2A ANTAGONIST (+)- ALPHA -(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL, PREPARATION AND INTERMEDIATES | AVENTIS PHARMACEUTICALS INC. | 2004-04-06 | — | — | US | disclosed |
| US-20030087932-A1 | Sulfuric acid mono-[ 3- ( {1- [ 2- (4-fluoro-phenyl ) -ethyl ] -piperidin-4-YL} -hydroxy-methyl) -2-methoxy-phenyl ] ester | AVENTISUB INC. | 2003-05-08 | — | — | US | disclosed |
| US-6465490-B1 | ANTAGONIST OF SEROTONIN AT 5HT2A RECEPTOR; SCHIZOPHRENIA, ANXIETY, VARIANT ANGINA, ANOREXIA NERVOSA, RAYNAUD'S DISEASE, INTERMITTENT CLAUDICATION, CORONARY OR PERIPHERAL VASOSPASMS, FIBROMYALGIA, CARDIAC ARRHYTHMIAS, THROMBOTIC ILLNESS | AVENTIS PHARMACEUTICALS INC. | 2002-10-15 | — | — | US | disclosed |
| EP-1202967-A2 | SULFURIC ACID MONO-[3-((1-(2-(4-FLUORO-PHENYL)-ETHYL]-PIPERIDIN-4-YL)-HYDROXY-METHYL)-2-METHOXY-PHENYL]ESTER | Aventis Pharmaceuticals Inc. (US) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001005764-A2 | SULFURIC ACID MONO-[3-({1- [2-(4-FLUORO-PHENYL)-ETHYL]- PIPERIDIN-4-YL}- HYDROXY- METHYL)-2- METHOXY-PHENYL]ESTER | AVENTIS PHARMACEUTICALS INC. (US) | 2001-01-25 | — | — | 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 (6 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 | CA1 636/4885CA2 1245/4885CA7 1377/4885 |
| US-20130345220-A1 | COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS | NR1H2, NR1H3, NR1H4 | CA1 4847/4885CA2 4724/4885CA7 4834/4885 |
| US-20030087932-A1 | Sulfuric acid mono-[ 3- ( {1- [ 2- (4-fluoro-phenyl ) -ethyl ] -piperidin-4-YL} -hydroxy-methyl) -2-methoxy-phenyl ] ester | HTR4, HTR1A, HTR2A | CA1 3370/4885CA2 3654/4885CA7 4693/4885 |
| US-20040152900-A1 | Method for the isolation of sulfuric acid mono-[3({1-[2-(4-fluorophenyly)-ethyl]-piperidin-4-yl}-2-methoxy-phenyl}ester | HTR4, HTR2A, HTR1A | CA1 3074/4885CA2 2971/4885CA7 3919/4885 |
| US-20090325981-A1 | Compounds and compositions as lxr modulators | NR1H2, NR1H3, NR1H4 | CA1 4847/4885CA2 4724/4885CA7 4834/4885 |
| US-20120214812-A1 | COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS | NR1H2, NR1H3, NR1H4 | CA1 4847/4885CA2 4724/4885CA7 4834/4885 |
“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.