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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 14/20 | 0.46 |
| ▸ | ACACA | Q13085 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12628074 | 0.86 | ACACB (0.52) | ACACBACACAHDAC3HDAC4HDAC1 | |
| SCHEMBL1829399 | 0.86 | ACACB (0.47) | ACACBACACA | |
| SCHEMBL1811702 | 0.86 | ACACB (0.49) | ACACBACACA | |
| SCHEMBL1830084 | 0.86 | ACACB (0.53) | ACACBACACAHDAC3HDAC4HDAC1 | |
| SCHEMBL1813571 | 0.85 | ACACB (0.48) | ACACBACACAHDAC3HDAC4HDAC1 | |
| SCHEMBL1829016 | 0.85 | ACACB (0.53) | ACACBACACAHDAC3HDAC4HDAC1 | |
| SCHEMBL1814836 | 0.85 | ACACB (0.54) | ACACBACACAHDAC3HDAC4HDAC1 | |
| SCHEMBL12628060 | 0.84 | ACACB (0.54) | ACACBACACAHDAC3HDAC4HDAC1 | |
| SCHEMBL1812830 | 0.84 | ACACB (0.65) | ACACBACACA | |
| SCHEMBL1812561 | 0.84 | ACACB (0.50) | ACACBACACAHDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1910375-B1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK SHARP & DOHME (US) | 2011-05-11 | — | — | EP | claimed |
| US-7410976-B2 | Spirochromanone derivatives | MERCK & CO., INC. (US) | 2008-08-12 | — | — | US | claimed |
| US-20070021453-A1 | Novel spirochromanone derivatives | MERCK SHARP & DOHME LLC | 2007-01-25 | — | — | US | claimed |
| EP-1910375-B1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK SHARP & DOHME (US) | 2011-05-11 | — | — | EP | disclosed |
| US-7935712-B2 | Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-05-03 | — | — | US | disclosed |
| US-20090131464-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK SHARP & DOHME LLC | 2009-05-21 | — | — | US | disclosed |
| US-7410976-B2 | Spirochromanone derivatives | MERCK & CO., INC. (US) | 2008-08-12 | — | — | US | disclosed |
| EP-1910375-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| US-20070021453-A1 | Novel spirochromanone derivatives | MERCK SHARP & DOHME LLC | 2007-01-25 | — | — | US | disclosed |
| WO-2007011809-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK & CO., INC. (US) | 2007-01-25 | — | — | 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 (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-20070021453-A1 | Novel spirochromanone derivatives | HSD17B7, CYP11B2, CYP11B1 | ACACB 37/4885ACACA 27/4885HDAC3 435/4885 |
| US-20090131464-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | ACACA, ACACB, ACAT1 | ACACB 2/4885ACACA 1/4885HDAC3 354/4885 |
“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.