SCHEMBL629311

SCHEMBL629311

CCCCCCCCCCCCCCCCC(CCCCCCCC(=O)[O-])(CC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCC(=O)[O-])(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2]

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 5)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.51
CA1 P00915 1/20 0.48
CES1 P23141 6/20 0.45
CES2 O00748 4/20 0.45
FAAH O00519 4/20 0.43

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7203595 0.93 CES2 (0.46) FABP3CA1CES1CES2FAAH
SCHEMBL7890037 0.91 CES2 (0.44) FABP3CA1CES1CES2
SCHEMBL76018 0.91 CES2 (0.44) FABP3CA1CES1CES2
SCHEMBL4879952 0.91 CES2 (0.44) FABP3CA1CES1CES2
SCHEMBL9893310 0.91 CES2 (0.44) FABP3CA1CES1CES2
SCHEMBL10639504 0.91 CES2 (0.44) FABP3CA1CES1CES2
Zinc Ion SCHEMBL5681976 0.89 FABP3 (0.55) FABP3CA1CES1CES2
SCHEMBL29052286 0.89 CA1 (0.45) CA1CES1CES2
Dodecanoate SCHEMBL5710745 0.88 FABP3 (0.53) FABP3CA1CES1CES2
Dodecanoate SCHEMBL28628262 0.88 FABP3 (0.53) FABP3CA1CES1CES2

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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199473-A1 GREASE COMPOSITIONS HAVING IMPROVED PERFORMANCE EXXONMOBIL RES & ENG CO (US) 2020-06-25 US disclosed
WO-2020131441-A1 GREASE COMPOSITIONS HAVING IMPROVED PERFORMANCE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2020-06-25 WO disclosed
EP-2231839-B1 USE IN GREASE FORMULATIONS SHELL INT RESEARCH (NL) 2017-11-15 EP disclosed
US-9556396-B2 Grease formulations SHELL OIL COMPANY (US) 2017-01-31 US disclosed
US-9126924-B2 Chemical composition THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2015-09-08 US disclosed
US-9062272-B2 Lubricant composition and methods of using same THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2015-06-23 US disclosed
EP-2859071-A2 CHEMICAL COMPOSITIONS AND METHODS OF USING SAME The Charles Stark Draper Laboratory, Inc. (US) 2015-04-15 EP disclosed
US-20130331589-A1 CHEMICAL COMPOSITION THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2013-12-12 US disclosed
US-20130327594-A1 LUBRICANT COMPOSITION AND METHODS OF USING SAME THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2013-12-12 US disclosed
WO-2013185006-A2 CHEMICAL COMPOSITIONS AND METHODS OF USING SAME THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2013-12-12 WO disclosed
US-4530770-A Oxidation resistance MOBIL OIL CORPORATION (US) 1985-07-23 US disclosed
US-4529528-A Reacting an alkoxylated amine and a phosphite MOBIL OIL CORPORATION (US) 1985-07-16 US disclosed
EP-0141485-A1 Lubricant composition MOBIL OIL CORPORATION (US) 1985-05-15 EP disclosed
US-4507216-A ANTIFRICTION, ANTICORROSION, FUEL CONSUMPTION REDUCING AGENT MOBIL OIL CORPORATION (US) 1985-03-26 US disclosed
US-4492640-A Trihydroxyhydrocarbyl sulfides and lubricants containing same MOBIL OIL CORPORATION (US) 1985-01-08 US disclosed
US-4486322-A FRICTION AND OXIDATION RESISTANCE MOBIL OIL CORPORATION (US) 1984-12-04 US disclosed
US-4474670-A OIL ADDITIVES MOBIL OIL CORPORATION (US) 1984-10-02 US disclosed
US-4465605-A Borated polyhydroxyalkyl sulfides and lubricants containing same MOBIL OIL CORPORATION (US) 1984-08-14 US disclosed
US-4456539-A ANTIOXIDANTS MOBIL OIL CORPORATION (US) 1984-06-26 US disclosed
US-4200542-A Grease composition MOBIL OIL CORPORATION (US) 1980-04-29 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 (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130331589-A1 CHEMICAL COMPOSITION VCL, SDC2, MUC1 FABP3 1490/4885CA1 165/4885CES1 2408/4885

“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.