Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5680266 | 0.89 | KDM4E (0.59) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 | |
| SCHEMBL4179844 | 0.88 | KDM4E (0.58) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 | |
| SCHEMBL4179852 | 0.88 | KDM4E (0.58) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 | |
| SCHEMBL4176913 | 0.86 | LMNA (0.56) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 | |
| SCHEMBL11405680 | 0.85 | KDM4E (0.49) | KDM4ECYP1A2HSD17B10LMNANFKB1 | |
| SCHEMBL4906790 | 0.83 | KDM4E (0.55) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 | |
| SCHEMBL3983028 | 0.80 | KDM4E (0.72) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL4280638 | 0.79 | KDM4E (0.71) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 | |
| SCHEMBL11240434 | 0.75 | KDM4E (0.59) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 | |
| SCHEMBL14022612 | 0.74 | KDM4E (0.67) | KDM4ECYP1A2HSD17B10LMNAALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090062218-A1 | MACROLONE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2009-03-05 | — | — | US | disclosed |
| US-20070213283-A1 | Macrolides substituted at the 4\"-position | GLAXO GROUP LIMITED (GB) | 2007-09-13 | — | — | US | disclosed |
| EP-1824871-A1 | MACROLONE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006050940-A1 | MACROLONE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2006-05-18 | — | — | WO | disclosed |
| EP-1625137-A1 | MACROLIDES SUBSTITUTED AT THE 4''-POSITION | GLAXO GROUP LIMITED (GB) | 2006-02-15 | — | — | EP | disclosed |
| WO-2004101585-A1 | MACROLIDES SUBSTITUDED AT THE 4'-POSITION | GLAXO GROUP LIMITED (GB) | 2004-11-25 | — | — | 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 (2 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-20070213283-A1 | Macrolides substituted at the 4\"-position | IL4, CYP51A1, IL17A | KDM4E 1543/4885CYP1A2 121/4885HSD17B10 305/4885 |
| US-20090062218-A1 | MACROLONE COMPOUNDS | CYP51A1, MRPL21, MYD88 | KDM4E 3897/4885CYP1A2 146/4885HSD17B10 300/4885 |
“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.