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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | FDPS known ✓ | P14324 | 4/20 | 0.35 |
| ▸ | CES2 | O00748 | 4/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL337752 | 1.00 | CA2 (0.42) | CA2CES2CES1CA1GGPS1 | |
| SCHEMBL7178944 | 1.00 | CA2 (0.42) | CA2CES2CES1CA1GGPS1 | |
| Lithium Ion SCHEMBL1484424 | 0.96 | CES2 (0.38) | CA2CES2CES1GGPS1FDPS | |
| Potassium Ion SCHEMBL1484421 | 0.96 | CES2 (0.38) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL7199650 | 0.86 | CA2 (0.42) | CA2CES2CES1CA1GGPS1 | |
| SCHEMBL11660121 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR | |
| SCHEMBL27508982 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR | |
| SCHEMBL3052895 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR | |
| SCHEMBL5342660 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR | |
| SCHEMBL27615120 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4062647-A | Clay-containing fabric softening detergent compositions | THE PROCTER & GAMBLE COMPANY (US) | 1977-12-13 | — | — | US | claimed |
| EP-2444060-B1 | Personal care composition | STEPAN CO (US) | 2017-08-23 | — | — | EP | disclosed |
| EP-2496545-B1 | SULFOMETHYLSUCCINATES, PROCESS FOR MAKING SAME AND COMPOSITIONS CONTAINING SAME | STEPAN CO (US) | 2017-01-11 | — | — | EP | disclosed |
| US-9133092-B2 | Alkyl lactyllactates and processes of making the same | STEPAN COMPANY (US) | 2015-09-15 | — | — | US | disclosed |
| US-8853141-B2 | Sulfomethylsuccinates, process for making same and compositions containing same | STEPAN COMPANY (US) | 2014-10-07 | — | — | US | disclosed |
| US-20140194646-A1 | Alkyl Lactyllactates and Processes of Making the Same | STEPAN COMPANY (US) | 2014-07-10 | — | — | US | disclosed |
| US-8642528-B2 | Alkyl lactyllactates and processes of making the same | STEPAN COMPANY (US) | 2014-02-04 | — | — | US | disclosed |
| US-20120270764-A1 | SULFOMETHYLSUCCINATES, PROCESS FOR MAKING SAME AND COMPOSITIONS CONTAINING SAME | STEPAN COMPANY | 2012-10-25 | — | — | US | disclosed |
| EP-2041064-B1 | PROCESSES OF MAKING ALKYL LACTYLLACTATES | STEPAN CO (US) | 2012-10-17 | — | — | EP | disclosed |
| EP-2496545-A2 | SULFOMETHYLSUCCINATES, PROCESS FOR MAKING SAME AND COMPOSITIONS CONTAINING SAME | Stepan Company (US) | 2012-09-12 | — | — | EP | disclosed |
| US-20080317737-A1 | Drug combination for the treatment of skin disorders | PRUGEN, INC. | 2008-12-25 | — | — | US | disclosed |
| WO-2008006076-A2 | ALKYL LACTYLLACTATES AND PROCESSES OF MAKING THE SAME | STEPAN COMPANY (US) | 2008-01-10 | — | — | WO | disclosed |
| EP-1730126-A1 | NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-12-13 | — | — | EP | disclosed |
| US-7011699-B2 | Inkjet ink, inkjet recording method and production method of inkjet ink | FUJI PHOTO FILM CO., LTD. (JP) | 2006-03-14 | — | — | US | disclosed |
| WO-2005092870-A1 | NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-06 | — | — | WO | disclosed |
| US-20040106700-A1 | Inkjet ink, inkjet recording method and production method of inkjet ink | FUJI PHOTO FILM CO., LTD. | 2004-06-03 | — | — | US | disclosed |
| US-4292035-A | COMPLEX OF SMECTITE CLAYS, AMINES, AND ORGANIC SULFONIUM, PHOSPHONIUM, OR QUATERNARY AMMONIUM COMPOUNDS, WITH AN ANIONIC SURFACTANT | THE PROCTER & GAMBLE COMPANY (US) | 1981-09-29 | — | — | US | disclosed |
| US-4062647-A | Clay-containing fabric softening detergent compositions | THE PROCTER & GAMBLE COMPANY (US) | 1977-12-13 | — | — | US | disclosed |
| US-4051046-A | ANTISTATIC AGENTS, SOFTENERS, WRINKLE RESISTANCE | THE PROCTER & GAMBLE COMPANY (US) | 1977-09-27 | — | — | US | disclosed |
| US-3969375-A | MULTISTAGE | LION FAT & OIL CO., LTD. (JA) | 1976-07-13 | — | — | 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 (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-20140194646-A1 | Alkyl Lactyllactates and Processes of Making the Same | LCT, LMAN1, ELOVL6 | CA2 598/4885CA1 2108/4885FDPS 3126/4885 |
| US-20120270764-A1 | SULFOMETHYLSUCCINATES, PROCESS FOR MAKING SAME AND COMPOSITIONS CONTAINING SAME | ACMSD, SRMS, TST | CA2 1629/4885CA1 4083/4885FDPS 2022/4885 |
“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.