SCHEMBL412741

SCHEMBL412741

CCCCCCCCCCCCC(CC(C)O)[N+](C)(C)C(CC(C)O)(C(=O)[O-])C(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.37
FFAR1 O14842 1/20 0.37
ACE2 Q9BYF1 1/20 0.35
CA1 P00915 2/20 0.34
NFKB1 P19838 1/20 0.34
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
CA2 P00918 1/20 0.33
FAAH O00519 1/20 0.32
PSMD14 O00487 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL10586247 0.88 GPR84 (0.35) GPR84FFAR1ACE2CA1MAPT
SCHEMBL7776655 0.79 HSPD1 (0.36) GPR84FFAR1CA1CA2
SCHEMBL126197 0.79 HSPD1 (0.36) GPR84FFAR1CA1CA2
SCHEMBL4595554 0.78 ACE2 (0.36) GPR84FFAR1ACE2CA1NFKB1
SCHEMBL1006700 0.77 FFAR1 (0.39) GPR84FFAR1CA1NFKB1PPARD
SCHEMBL11410243 0.72 CA1 (0.31) GPR84CA1
SCHEMBL97027 0.68 CA2 (0.41) GPR84FFAR1ACE2CA1NFKB1
SCHEMBL2565402 0.66 GPR84 (0.38) GPR84FFAR1ACE2CA1MAPT
SCHEMBL7601078 0.66 PSMD14 (0.42) GPR84FFAR1CA1MAPTPSMD14
SCHEMBL1411985 0.66 GPR84 (0.41) GPR84FFAR1CA1NFKB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145481-B1 SULFATE-FREE PERSONAL CARE COMPOSITIONS RHODIA OPERATIONS (FR) 2023-04-19 EP claimed
EP-3503726-A1 LOW RESIDUE DISINFECTING WIPES Lonza Inc. (US) 2019-07-03 EP claimed
WO-2018064021-A1 LOW RESIDUE DISINFECTING WIPES LONZA INC. (US) 2018-04-05 WO claimed
US-20180084777-A1 Low Residue Disinfecting Wipes Arxada, LLC 2018-03-29 US claimed
EP-2589640-B1 Foamed gel systems for fracturing subterranean formations, and methods for making and using same CLEARWATER INT LLC (US) 2015-03-04 EP claimed
US-7754794-B2 Methods of treating keratin based substrates WSP CHEMICAL & TECHNOLOGY, LLC (US) 2010-07-13 US claimed
EP-1119339-B1 STABILIZED SHAMPOO CONTAINING SILOXYSILICATE MATERIAL COLGATE PALMOLIVE CO (US) 2007-09-26 EP claimed
WO-2007075681-A1 CHEMICALLY-ENHANCED MECHANICAL TREATMENT OF WATER HERCULES INCORPORATED (US) 2007-07-05 WO claimed
EP-1678289-B1 BAR SOAP COMPOSITION WITH REDUCED BAR WEAR PROPERTIES COLGATE PALMOLIVE CO (US) 2007-04-11 EP claimed
EP-1395235-B1 SHAMPOOS WITH BEHENYL ALCOHOL COLGATE PALMOLIVE CO (US) 2007-02-28 EP claimed
EP-1119339-A1 STABILIZED SHAMPOO CONTAINING SILOXYSILICATE MATERIAL Colgate-Palmolive Company (US) 2001-08-01 EP claimed
WO-2000021494-A1 STABILIZED SHAMPOO CONTAINING SILOXYSILICATE MATERIAL COLGATE-PALMOLIVE COMPANY (US) 2000-04-20 WO claimed
EP-0915693-A1 AN OIL-IN-WATER EMULSION FOR USE ON HUMAN SKIN FOR CLEANSING, PRESERVING OR IMPROVING THE CONDITION OF THE SKIN Plum Kemi Produktion A/S (DK) 1999-05-19 EP claimed
WO-1998005294-A1 AN OIL-IN-WATER EMULSION FOR USE ON HUMAN SKIN FOR CLEANSING, PRESERVING OR IMPROVING THE CONDITION OF THE SKIN PLUM KEMI PRODUKTION A/S (DK) 1998-02-12 WO claimed
WO-1996021424-A2 MILD COLD PEARLIZING CONCENTRATES RHONE-POULENC INC. (US) 1996-07-18 WO claimed
EP-0650351-A4 HAIR COSMETIC. PROCTER & GAMBLE (US) 1996-03-27 EP claimed
EP-0650351-A1 HAIR COSMETIC THE PROCTER & GAMBLE COMPANY (US) 1995-05-03 EP claimed
WO-1994002115-A1 HAIR COSMETIC THE PROCTER & GAMBLE COMPANY (US) 1994-02-03 WO claimed
US-5246613-A Aqueous isotropic personal liquid cleansing composition with triethanol amine soap, selected electrolyte and synthetic surfacant THE PROCTER & GAMBLE COMPANY (US) 1993-09-21 US claimed
US-4201678-A USING AN AQUEOUS SOLUTION OF A FOAMING AGENT COMPRISING AN AMPHOTERIC ALKYL BETAINE AND A SODIUM OLEFIN SULFONATE UNION OIL COMPANY OF CALIFORNIA (US) 1980-05-06 US claimed

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-20180084777-A1 Low Residue Disinfecting Wipes SMURF1, SMURF2, CUTA GPR84 841/4885FFAR1 2018/4885ACE2 2796/4885

“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.