SCHEMBL443504

SCHEMBL443504

CCCCCC(CCC)COC(=O)/C=C\C(=O)OCC(CCC)CCCCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ATM Q13315 2/20 0.52
HCAR2 Q8TDS4 5/20 0.49
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
LMNA P02545 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.39
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GPR84 Q9NQS5 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6722524 1.00 TSHR (0.56) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL6722551 1.00 TSHR (0.56) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL30792602 0.94 TSHR (0.57) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL441835 0.94 TSHR (0.57) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL445010 0.94 TSHR (0.57) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL445475 0.94 TSHR (0.57) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL14636534 0.93 TSHR (0.50) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL28901602 0.93 HCAR2 (0.60) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL28475408 0.93 HCAR2 (0.60) TSHRATMHCAR2TDP1CYP3A4
SCHEMBL14636532 0.93 TSHR (0.50) TSHRATMHCAR2TDP1CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265595-A1 SULFONATE COMPOSITION PRODUCTION METHOD Kao Corporation (JP) 2023-10-25 EP disclosed
US-20230331666-A1 METHOD FOR PRODUCING SULFONATE COMPOSITION KAO CORPORATION (JP) 2023-10-19 US disclosed
CN-116568670-A Method for producing sulfonate composition 花王株式会社 2023-08-08 CN disclosed
CN-107849493-B Defect reducing rinse solution containing ammonium salts of sulfoesters 巴斯夫欧洲公司 2020-10-09 CN disclosed
US-20180201885-A1 DEFECT REDUCTION RINSE SOLUTION CONTAINING AMMONIUM SALTS OF SULFOESTERS BASF SE (DE) 2018-07-19 US disclosed
EP-2398874-B1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE LUBRIZOL CORP (US) 2017-04-26 EP disclosed
US-8835368-B2 Compounds and a method of lubricating an internal combustion engine THE LUBRIZOL CORPORATION (US) 2014-09-16 US disclosed
US-20120291669-A1 Sulfosuccinates CONGNIS IP MANAGEMENT GMBH (DE) 2012-11-22 US disclosed
WO-2012158250-A1 PLASTICIZERS Amyris, Inc. (US) 2012-11-22 WO disclosed
US-20120065110-A1 Compounds and a Method of Lubricating an Internal Combustion Engine THE LUBRIZOL CORPORATION (US) 2012-03-15 US disclosed
EP-2398874-A1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE The Lubrizol Corporation (US) 2011-12-28 EP disclosed
WO-2010096291-A1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE THE LUBRIZOL CORPORATION (US) 2010-08-26 WO disclosed
US-20040014865-A1 Composition for producing surfaces which are difficult to wet BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 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-20120291669-A1 Sulfosuccinates SPTSSB, ADH1A, SULT1A1 TSHR 1844/4885ATM 2358/4885HCAR2 1238/4885

“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.