SCHEMBL427041

SCHEMBL427041

CCCCCCCCCCCCOC(=O)[C@H](CCCNC(=N)N)NCC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.43
NOD1 Q9Y239 4/20 0.41
EPHX1 P07099 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL368948 0.86 DPP7 (0.39) ACHENOD1EPHX1SIRT6SIRT1
SCHEMBL8017621 0.85 CAD (0.38) NOD1
SCHEMBL18796573 0.84 NOD1 (0.59) ACHENOD1
SCHEMBL18796593 0.84 NOD1 (0.59) ACHENOD1
SCHEMBL18796584 0.84 NOD1 (0.59) ACHENOD1
SCHEMBL8013883 0.84 NPY4R (0.42)
SCHEMBL3043418 0.83 TSHR (0.41) NOD1EPHX1SIRT6SIRT1
Hydrochloric Acid SCHEMBL18796601 0.83 NOD1 (0.58) ACHENOD1
Hydrochloric Acid SCHEMBL10332244 0.83 NOD1 (0.58) ACHENOD1
Hydrochloric Acid SCHEMBL10332245 0.83 NOD1 (0.58) ACHENOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074910-A1 BIOCIDAL COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-04-11 WO claimed
EP-2046270-B1 HIGH FLUORIDE ION ORAL CARE COMPOSITION AND METHOD FOR MAINTAINING ANTICARIES ACTIVITY COLGATE PALMOLIVE CO (US) 2017-06-07 EP claimed
US-20170112823-A1 COMPOSITIONS AND METHODS TO TREAT NEUROPATHY AND RELATED CONDITIONS Health Naturally, LLC (US) 2017-04-27 US claimed
EP-2265242-B1 High fluoride ion recovery compositions COLGATE PALMOLIVE CO (US) 2017-03-08 EP claimed
EP-2136770-B1 POLYMERIC ENCAPSULATES HAVING A QUATERNARY AMMONIUM SALT AND METHODS FOR PRODUCING THE SAME COLGATE PALMOLIVE CO (US) 2016-05-11 EP claimed
US-8900558-B2 High fluoride ion oral care composition and method for maintaining anticaries activity COLGATE-PALMOLIVE COMPANY (US) 2014-12-02 US claimed
US-8568697-B2 High fluoride ion recovery compositions COLGATE-PALMOLIVE COMPANY (US) 2013-10-29 US claimed
WO-2013103556-A1 ANTIMICROBIAL COMPOSITION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-11 WO claimed
US-8178483-B2 Extended oral release of broad spectrum antimicrobial agent; dentifrices; such as chitosan cetylpyridinium chloride microcapsules COLGATE-PALMOLIVE COMPANY (US) 2012-05-15 US claimed
EP-2265242-A1 HIGH FLUORIDE ION RECOVERY COMPOSITIONS Colgate-Palmolive Company (US) 2010-12-29 EP claimed
EP-2136770-A1 POLYMERIC ENCAPSULATES HAVING A QUATERNARY AMMONIUM SALT AND METHODS FOR PRODUCING THE SAME Colgate-Palmolive Company (US) 2009-12-30 EP claimed
WO-2009117644-A1 HIGH FLUORIDE ION RECOVERY COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2009-09-24 WO claimed
US-20090238777-A1 High Fluoride Ion Recovery Compositions COLGATE-PALMOLIVE COMPANY (US) 2009-09-24 US claimed
EP-2046270-A2 HIGH FLUORIDE ION ORAL CARE COMPOSITION AND METHOD FOR MAINTAINING ANTICARIES ACTIVITY Colgate-Palmolive Company (US) 2009-04-15 EP claimed
WO-2008121518-A1 POLYMERIC ENCAPSULATES HAVING A QUATERNARY AMMONIUM SALT AND METHODS FOR PRODUCING THE SAME COLGATE-PALMOLIVE COMPANY (US) 2008-10-09 WO claimed
US-20080242767-A1 Polymeric Encapsulates Having a Quaternary Ammonium Salt and Methods for Producing the Same COLGATE-PALMOLIVE COMPANY 2008-10-02 US claimed
WO-2008005688-A2 HIGH FLUORIDE ION ORAL CARE COMPOSITION AND METHOD FOR MAINTAINING ANTICARIES ACTIVITY COLGATE-PALMOLIVE COMPANY (US) 2008-01-10 WO claimed
US-20080003187-A1 High fluoride ion oral care composition and method for maintaining anticaries activity COLGATE-PALMOLIVE COMPANY 2008-01-03 US claimed
EP-4398868-A1 AN ORAL CARE COMPOSITION COMPRISING A GLYCOLIPID AND A MILD SURFACTANT BASF SE (DE) 2024-07-17 EP disclosed
US-20080003187-A1 High fluoride ion oral care composition and method for maintaining anticaries activity COLGATE-PALMOLIVE COMPANY 2008-01-03 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-20170112823-A1 COMPOSITIONS AND METHODS TO TREAT NEUROPATHY AND RELATED CONDITIONS TNF, PMP22, IL6 ACHE 4/4885NOD1 32/4885EPHX1 230/4885

“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.