Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | RGS12 | O14924 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5962400 | 1.00 | KDM4E (0.70) | KDM4EALDH1A1AOC3GAAADRA2C | |
| SCHEMBL13741557 | 1.00 | KDM4E (0.70) | KDM4EALDH1A1AOC3GAAADRA2C | |
| SCHEMBL10108616 | 1.00 | KDM4E (0.70) | KDM4EALDH1A1AOC3GAAADRA2C | |
| SCHEMBL5962393 | 1.00 | KDM4E (0.70) | KDM4EALDH1A1AOC3GAAADRA2C | |
| SCHEMBL12322302 | 0.85 | KDM4E (0.73) | KDM4EALDH1A1AOC3GAAADRA2C | |
| SCHEMBL18091009 | 0.85 | KDM4E (0.73) | KDM4EALDH1A1AOC3GAAADRA2C | |
| Methylephedrine SCHEMBL99673 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1AOC3GAAADRA2C | |
| Methylephedrine SCHEMBL11959977 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1AOC3GAAADRA2C | |
| Methylephedrine SCHEMBL2712293 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1AOC3GAAADRA2C | |
| Methylephedrine SCHEMBL99674 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1AOC3GAAADRA2C |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220144836-A1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE | BRISTOL-MYERS SQUIBB COMPANY | 2022-05-12 | — | — | US | disclosed |
| EP-1910261-B1 | SUBSTITUTED CYCLOHEXANONES | FIRMENICH & CIE (CH) | 2009-11-11 | — | — | EP | disclosed |
| US-7470820-B2 | Substituted cyclohexanones | FIRMENICH SA (CH) | 2008-12-30 | — | — | US | disclosed |
| US-20080228008-A1 | Substituted Cyclohexanones | FIRMENICH SA (CH) | 2008-09-18 | — | — | US | disclosed |
| EP-1910261-A1 | SUBSTITUTED CYCLOHEXANONES | Firmenich SA (CH) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007010483-A1 | SUBSTITUTED CYCLOHEXANONES | FIRMENICH SA (CH) | 2007-01-25 | — | — | WO | disclosed |
| US-20040072849-A1 | Dioxanes and uses thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-04-15 | — | — | US | disclosed |
| EP-0664286-B1 | Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation | FIRMENICH & CIE (CH) | 1998-04-22 | — | — | EP | disclosed |
| US-5521151-A | Tetralinic nitriles, their use as perfuming ingredients and aldehyde intermediates for their preparation | FIRMENICH S.A. (CH) | 1996-05-28 | — | — | US | disclosed |
| EP-0664286-A1 | Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation | FIRMENICH SA (CH) | 1995-07-26 | — | — | EP | disclosed |
| EP-0593917-A1 | Process for the preparation of optically active esters and thioesters | FIRMENICH SA (CH) | 1994-04-27 | — | — | EP | disclosed |
| EP-0326869-B1 | CYCLOALIPHATIC KETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFUMING AND AROMATISING INGREDIENTS | FIRMENICH SA (CH) | 1993-08-18 | — | — | EP | disclosed |
| US-5041678-A | Cycloaliphatic ketones for use as perfuming and flavoring ingredients | FIRMENICH S.A. (CH) | 1991-08-20 | — | — | US | disclosed |
| US-4990496-A | (-)-(1s)-1-(2',2'-6'-trimethyl-2'-cyclo-hexene-1'-yl)-2-butene-1-one | FIRMENICH S.A. (CH) | 1991-02-05 | — | — | 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-20040072849-A1 | Dioxanes and uses thereof | UTS2R, HDAC5, AMDHD2 | KDM4E 164/4885ALDH1A1 682/4885AOC3 2471/4885 |
| US-20080228008-A1 | Substituted Cyclohexanones | NQO1, CYP2J2, CBR3 | KDM4E 1219/4885ALDH1A1 388/4885AOC3 1084/4885 |
| US-20220144836-A1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE | CYP2D6, CYP1B1, CYP2B6 | KDM4E 871/4885ALDH1A1 426/4885AOC3 1116/4885 |
“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.